Friday, September 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[9-[(3aS,4S,6R,6aR)-4-(diiodomethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoyl-benzamide
CAS Name: N-[9-[(3aS,4S,6R,6aR)-4-(diiodomethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-6-purinyl]-N-benzoylbenzamide
IUPAC NAME: N-[9-[(3aS,4S,6R,6aR)-4-(diiodomethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoylbenzamide
SYSTEMATIC NAME: N-[9-[(3aS,4S,6R,6aR)-4-[bis(iodanyl)methyl]-4-fluoranyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C27H22FI2N5O5
MOLECULAR WEIGHT: 769.301423
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@](O[C@H]2N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)(C(I)I)F)C
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Product OPENEYE NAME: N-[9-[(3aS,4S,6R,6aR)-4-(chloromethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoyl-benzamide
CAS Name: N-[9-[(3aS,4S,6R,6aR)-4-(chloromethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-6-purinyl]-N-benzoylbenzamide
IUPAC NAME: N-[9-[(3aS,4S,6R,6aR)-4-(chloromethyl)-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoylbenzamide
SYSTEMATIC NAME: N-[9-[(3aS,4S,6R,6aR)-4-(chloromethyl)-4-fluoranyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C27H23ClFN5O5
MOLECULAR WEIGHT: 551.953423
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@](O[C@H]2N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)(CCl)F)C
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Product OPENEYE NAME: N-[9-[(3aS,4R,6R,6aR)-4-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoyl-benzamide
CAS Name: N-[9-[(3aS,4R,6R,6aR)-4-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]-6-purinyl]-N-benzoylbenzamide
IUPAC NAME: N-[9-[(3aS,4R,6R,6aR)-4-fluoro-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-benzoylbenzamide
SYSTEMATIC NAME: N-[9-[(3aS,4R,6R,6aR)-4-fluoranyl-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]purin-6-yl]-N-(phenylcarbonyl)benzamide
MOLECULAR FORMULA: C27H24FN5O6
MOLECULAR WEIGHT: 533.507763
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@](O[C@H]2N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)(CO)F)C
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Product OPENEYE NAME: [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)purin-9-yl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl sulfamate
CAS Name: sulfamic acid [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)-9-purinyl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl ester
IUPAC NAME: [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)purin-9-yl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl sulfamate
SYSTEMATIC NAME: [(3aS,4R,6R,6aR)-6-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-4-fluoranyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl sulfamate
MOLECULAR FORMULA: C27H25FN6O8S
MOLECULAR WEIGHT: 612.586203
SMILES: CC1(O[C@@H]2[C@H](O1)[C@@](O[C@H]2N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)(COS(=O)(=O)N)F)C
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Product OPENEYE NAME: [(2R,3S,4R,5R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxy-tetrahydrofuran-3-yl] benzoate
CAS Name: benzoic acid [(2R,3S,4R,5R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxy-3-oxolanyl] ester
IUPAC NAME: [(2R,3S,4R,5R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxyoxolan-3-yl] benzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoranyl-4-methoxy-oxolan-3-yl] benzoate
MOLECULAR FORMULA: C17H21FO6
MOLECULAR WEIGHT: 340.343443
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@H]([C@H](O2)F)OC)OC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(2R,3S,4R,5S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxy-tetrahydrofuran-3-yl] benzoate
CAS Name: benzoic acid [(2R,3S,4R,5S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxy-3-oxolanyl] ester
IUPAC NAME: [(2R,3S,4R,5S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoro-4-methoxyoxolan-3-yl] benzoate
SYSTEMATIC NAME: [(2R,3S,4R,5S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-fluoranyl-4-methoxy-oxolan-3-yl] benzoate
MOLECULAR FORMULA: C17H21FO6
MOLECULAR WEIGHT: 340.343443
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@@H]([C@H]([C@@H](O2)F)OC)OC(=O)C3=CC=CC=C3)C
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Product OPENEYE NAME: [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)purin-9-yl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl acetate
CAS Name: acetic acid [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)-9-purinyl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl ester
IUPAC NAME: [(3aS,4R,6R,6aR)-6-[6-(dibenzoylamino)purin-9-yl]-4-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl acetate
SYSTEMATIC NAME: [(3aS,4R,6R,6aR)-6-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-4-fluoranyl-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-yl]methyl ethanoate
MOLECULAR FORMULA: C29H26FN5O7
MOLECULAR WEIGHT: 575.544443
SMILES: CC(=O)OC[C@]1([C@@H]2[C@H]([C@@H](O1)N3C=NC4=C3N=CN=C4N(C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)OC(O2)(C)C)F
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Product OPENEYE NAME: ethyl (Z)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-4-amino-4-oxo-but-2-enoate
CAS Name: (Z)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-5-[(triphenylmethyl)oxymethyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-4-amino-4-oxo-2-butenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-[(3aR,5R,6S,6aS)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-4-amino-4-oxobut-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-[(3aR,5R,6S,6aS)-6-fluoranyl-2,2-dimethyl-5-[(triphenylmethyl)oxymethyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-4-azanyl-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C33H34FNO7
MOLECULAR WEIGHT: 575.623963
SMILES: CCOC(=O)/C(=C/C(=O)N)/[C@@]1([C@H](O[C@H]2[C@@H]1OC(O2)(C)C)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F
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Product OPENEYE NAME: (5S)-5-[(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
CAS Name: (5S)-5-[(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-triphenylphosphoranylidenepyrrolidine-2,4-dione
IUPAC NAME: (5S)-5-[(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-[(3aR,5R,6S,6aS)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoranyl-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-oxidanyl-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C34H35FNO8P
MOLECULAR WEIGHT: 635.615764
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@]([C@@H]3[C@H](O2)OC(O3)(C)C)([C@]4(C(=O)C(=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N4)O)F)C
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Product OPENEYE NAME: (5S)-5-[(3aR,5R,6R,6aS)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
CAS Name: (5S)-5-[(3aR,5R,6R,6aS)-6-fluoro-2,2-dimethyl-5-[(triphenylmethyl)oxymethyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-triphenylphosphoranylidenepyrrolidine-2,4-dione
IUPAC NAME: (5S)-5-[(3aR,5R,6R,6aS)-6-fluoro-2,2-dimethyl-5-(trityloxymethyl)-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-hydroxy-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-[(3aR,5R,6R,6aS)-6-fluoranyl-2,2-dimethyl-5-[(triphenylmethyl)oxymethyl]-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]-5-oxidanyl-3-(triphenyl-$l^{5}-phosphanylidene)pyrrolidine-2,4-dione
MOLECULAR FORMULA: C49H43FNO7P
MOLECULAR WEIGHT: 807.840384
SMILES: CC1(O[C@H]2[C@@H](O1)O[C@@H]([C@@]2([C@]3(C(=O)C(=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N3)O)F)COC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C
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Product OPENEYE NAME: 1,1,3,3-tetrachloro-1,1,2,2,3,3,4,4-octafluoro-1,3-dithietane
CAS Name: 1,1,3,3-tetrachloro-1,1,2,2,3,3,4,4-octafluoro-1,3-dithietane
IUPAC NAME: 1,1,3,3-tetrachloro-1,1,2,2,3,3,4,4-octafluoro-1,3-dithietane
SYSTEMATIC NAME: 1,1,3,3-tetrakis(chloranyl)-1,1,2,2,3,3,4,4-octakis(fluoranyl)-1,3-dithietane
MOLECULAR FORMULA: C2Cl4F8S2
MOLECULAR WEIGHT: 381.950626
SMILES: C1(S(C(S1(F)(F)(Cl)Cl)(F)F)(F)(F)(Cl)Cl)(F)F
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Product OPENEYE NAME: 1,1,3,3-tetrachloro-2,2,4,4-tetrafluoro-1,3-bis(methylimino)-1,3-dithietane
CAS Name: 1,1,3,3-tetrachloro-2,2,4,4-tetrafluoro-1,3-bis(methylimino)-1,3-dithietane
IUPAC NAME: 1,1,3,3-tetrachloro-2,2,4,4-tetrafluoro-1,3-bis(methylimino)-1,3-dithietane
SYSTEMATIC NAME: 1,1,3,3-tetrakis(chloranyl)-2,2,4,4-tetrakis(fluoranyl)-1,3-bis(methylimino)-1,3-dithietane
MOLECULAR FORMULA: C4H6Cl4F4N2S2
MOLECULAR WEIGHT: 364.039453
SMILES: CN=S1(C(S(=NC)(C1(F)F)(Cl)Cl)(F)F)(Cl)Cl
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Product OPENEYE NAME: 2-fluorobenzothiophene
CAS Name: 2-fluoro-1-benzothiophene
IUPAC NAME: 2-fluoro-1-benzothiophene
SYSTEMATIC NAME: 2-fluoranyl-1-benzothiophene
MOLECULAR FORMULA: C8H5FS
MOLECULAR WEIGHT: 152.188703
SMILES: C1=CC=C2C(=C1)C=C(S2)F
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Product OPENEYE NAME: 2,2,6,6-tetrafluoromorpholine
CAS Name: 2,2,6,6-tetrafluoromorpholine
IUPAC NAME: 2,2,6,6-tetrafluoromorpholine
SYSTEMATIC NAME: 2,2,6,6-tetrakis(fluoranyl)morpholine
MOLECULAR FORMULA: C4H5F4NO
MOLECULAR WEIGHT: 159.082213
SMILES: C1C(OC(CN1)(F)F)(F)F
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Product OPENEYE NAME: 2,2,6,6-tetrafluoro-4-methyl-morpholine
CAS Name: 2,2,6,6-tetrafluoro-4-methylmorpholine
IUPAC NAME: 2,2,6,6-tetrafluoro-4-methylmorpholine
SYSTEMATIC NAME: 2,2,6,6-tetrakis(fluoranyl)-4-methyl-morpholine
MOLECULAR FORMULA: C5H7F4NO
MOLECULAR WEIGHT: 173.108793
SMILES: CN1CC(OC(C1)(F)F)(F)F
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Product OPENEYE NAME: 2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine
CAS Name: 2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine
IUPAC NAME: 2,2,3,3,5,5,6,6-octafluoro-4-(fluoromethyl)morpholine
SYSTEMATIC NAME: 2,2,3,3,5,5,6,6-octakis(fluoranyl)-4-(fluoranylmethyl)morpholine
MOLECULAR FORMULA: C5H2F9NO
MOLECULAR WEIGHT: 263.061109
SMILES: C(N1C(C(OC(C1(F)F)(F)F)(F)F)(F)F)F
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Product OPENEYE NAME: 4-(difluoromethyl)-2,2,3,3,5,5,6,6-octafluoro-morpholine
CAS Name: 4-(difluoromethyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
IUPAC NAME: 4-(difluoromethyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
SYSTEMATIC NAME: 4-[bis(fluoranyl)methyl]-2,2,3,3,5,5,6,6-octakis(fluoranyl)morpholine
MOLECULAR FORMULA: C5HF10NO
MOLECULAR WEIGHT: 281.051572
SMILES: C(N1C(C(OC(C1(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: 4-ethyl-2,2,6,6-tetrafluoro-morpholine
CAS Name: 4-ethyl-2,2,6,6-tetrafluoromorpholine
IUPAC NAME: 4-ethyl-2,2,6,6-tetrafluoromorpholine
SYSTEMATIC NAME: 4-ethyl-2,2,6,6-tetrakis(fluoranyl)morpholine
MOLECULAR FORMULA: C6H9F4NO
MOLECULAR WEIGHT: 187.135373
SMILES: CCN1CC(OC(C1)(F)F)(F)F
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Product OPENEYE NAME: 2,2,6,6-tetrafluoro-4-isopropyl-morpholine
CAS Name: 2,2,6,6-tetrafluoro-4-propan-2-ylmorpholine
IUPAC NAME: 2,2,6,6-tetrafluoro-4-propan-2-ylmorpholine
SYSTEMATIC NAME: 2,2,6,6-tetrakis(fluoranyl)-4-propan-2-yl-morpholine
MOLECULAR FORMULA: C7H11F4NO
MOLECULAR WEIGHT: 201.161953
SMILES: CC(C)N1CC(OC(C1)(F)F)(F)F
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Product OPENEYE NAME: 4-tert-butyl-2,2,6,6-tetrafluoro-morpholine
CAS Name: 4-tert-butyl-2,2,6,6-tetrafluoromorpholine
IUPAC NAME: 4-tert-butyl-2,2,6,6-tetrafluoromorpholine
SYSTEMATIC NAME: 4-tert-butyl-2,2,6,6-tetrakis(fluoranyl)morpholine
MOLECULAR FORMULA: C8H13F4NO
MOLECULAR WEIGHT: 215.188533
SMILES: CC(C)(C)N1CC(OC(C1)(F)F)(F)F
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Product OPENEYE NAME: 2,2,6,6-tetrafluoro-4-phenyl-morpholine
CAS Name: 2,2,6,6-tetrafluoro-4-phenylmorpholine
IUPAC NAME: 2,2,6,6-tetrafluoro-4-phenylmorpholine
SYSTEMATIC NAME: 2,2,6,6-tetrakis(fluoranyl)-4-phenyl-morpholine
MOLECULAR FORMULA: C10H9F4NO
MOLECULAR WEIGHT: 235.178173
SMILES: C1C(OC(CN1C2=CC=CC=C2)(F)F)(F)F
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Product OPENEYE NAME: 4-cyclohexyl-2,2,6,6-tetrafluoro-morpholine
CAS Name: 4-cyclohexyl-2,2,6,6-tetrafluoromorpholine
IUPAC NAME: 4-cyclohexyl-2,2,6,6-tetrafluoromorpholine
SYSTEMATIC NAME: 4-cyclohexyl-2,2,6,6-tetrakis(fluoranyl)morpholine
MOLECULAR FORMULA: C10H15F4NO
MOLECULAR WEIGHT: 241.225813
SMILES: C1CCC(CC1)N2CC(OC(C2)(F)F)(F)F
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