Friday, September 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[1-(2-aminoacetyl)-4-fluoro-pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: 2-[[[1-(2-amino-1-oxoethyl)-4-fluoro-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: 2-[[1-(2-aminoacetyl)-4-fluoropyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[[1-(2-azanylethanoyl)-4-fluoranyl-pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C18H21FN4O4
MOLECULAR WEIGHT: 376.382143
SMILES: C1C(CN(C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)CN)F
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Product OPENEYE NAME: (3,5-dichloro-2,6-difluoro-4-pyridyl)imino-triphenyl-$l^{5}-phosphane
CAS Name: (3,5-dichloro-2,6-difluoro-4-pyridinyl)imino-triphenylphosphorane
IUPAC NAME: (3,5-dichloro-2,6-difluoropyridin-4-yl)imino-triphenyl-$l^{5}-phosphane
SYSTEMATIC NAME: [3,5-bis(chloranyl)-2,6-bis(fluoranyl)pyridin-4-yl]imino-triphenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C23H15Cl2F2N2P
MOLECULAR WEIGHT: 459.255167
SMILES: C1=CC=C(C=C1)P(=NC2=C(C(=NC(=C2Cl)F)F)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (3,5-dichloro-2,6-difluoro-4-pyridyl)-[(triphenyl-$l^{5}-phosphanylidene)amino]diazene
CAS Name: (3,5-dichloro-2,6-difluoro-4-pyridinyl)-(triphenylphosphoranylideneamino)diazene
IUPAC NAME: (3,5-dichloro-2,6-difluoropyridin-4-yl)-[(triphenyl-$l^{5}-phosphanylidene)amino]diazene
SYSTEMATIC NAME: [3,5-bis(chloranyl)-2,6-bis(fluoranyl)pyridin-4-yl]-[(triphenyl-$l^{5}-phosphanylidene)amino]diazene
MOLECULAR FORMULA: C23H15Cl2F2N4P
MOLECULAR WEIGHT: 487.268567
SMILES: C1=CC=C(C=C1)P(=NN=NC2=C(C(=NC(=C2Cl)F)F)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (2S,3S)-2,3-difluorooxirane
CAS Name: (2S,3S)-2,3-difluorooxirane
IUPAC NAME: (2S,3S)-2,3-difluorooxirane
SYSTEMATIC NAME: (2S,3S)-2,3-bis(fluoranyl)oxirane
MOLECULAR FORMULA: C2H2F2O
MOLECULAR WEIGHT: 80.033486
SMILES: [C@@H]1([C@@H](O1)F)F
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Product OPENEYE NAME: 3,3,5,5-tetrafluoro-1,4-dioxan-2-one
CAS Name: 3,3,5,5-tetrafluoro-1,4-dioxan-2-one
IUPAC NAME: 3,3,5,5-tetrafluoro-1,4-dioxan-2-one
SYSTEMATIC NAME: 3,3,5,5-tetrakis(fluoranyl)-1,4-dioxan-2-one
MOLECULAR FORMULA: C4H2F4O3
MOLECULAR WEIGHT: 174.050493
SMILES: C1C(OC(C(=O)O1)(F)F)(F)F
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Product OPENEYE NAME: 3,3,5,5,6-pentafluoro-1,4-dioxan-2-one
CAS Name: 3,3,5,5,6-pentafluoro-1,4-dioxan-2-one
IUPAC NAME: 3,3,5,5,6-pentafluoro-1,4-dioxan-2-one
SYSTEMATIC NAME: 3,3,5,5,6-pentakis(fluoranyl)-1,4-dioxan-2-one
MOLECULAR FORMULA: C4HF5O3
MOLECULAR WEIGHT: 192.040956
SMILES: C1(C(OC(C(=O)O1)(F)F)(F)F)F
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Product OPENEYE NAME: 3,3,4,4,5,5-hexafluorotetrahydropyran-2-one
CAS Name: 3,3,4,4,5,5-hexafluoro-2-oxanone
IUPAC NAME: 3,3,4,4,5,5-hexafluorooxan-2-one
SYSTEMATIC NAME: 3,3,4,4,5,5-hexakis(fluoranyl)oxan-2-one
MOLECULAR FORMULA: C5H2F6O2
MOLECULAR WEIGHT: 208.058599
SMILES: C1C(C(C(C(=O)O1)(F)F)(F)F)(F)F
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Product OPENEYE NAME: (4R,5S)-4,5-dichloro-4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CAS Name: (4R,5S)-4,5-dichloro-4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
IUPAC NAME: (4R,5S)-4,5-dichloro-4-fluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SYSTEMATIC NAME: (4R,5S)-4,5-bis(chloranyl)-4-fluoranyl-2,2-bis(trifluoromethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5HCl2F7O2
MOLECULAR WEIGHT: 296.955062
SMILES: [C@@H]1([C@@](OC(O1)(C(F)(F)F)C(F)(F)F)(F)Cl)Cl
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Product OPENEYE NAME: 2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-carboxylic acid
CAS Name: 2,3,3,4,4,5,5-heptafluoro-2-oxolanecarboxylic acid
IUPAC NAME: 2,3,3,4,4,5,5-heptafluorooxolane-2-carboxylic acid
SYSTEMATIC NAME: 2,3,3,4,4,5,5-heptakis(fluoranyl)oxolane-2-carboxylic acid
MOLECULAR FORMULA: C5HF7O3
MOLECULAR WEIGHT: 242.048462
SMILES: C(=O)(C1(C(C(C(O1)(F)F)(F)F)(F)F)F)O
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Product OPENEYE NAME: 2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CAS Name: 2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
IUPAC NAME: 2-(difluoromethyl)-4,5-difluoro-2-(trifluoromethyl)-1,3-dioxolane
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-4,5-bis(fluoranyl)-2-(trifluoromethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5H3F7O2
MOLECULAR WEIGHT: 228.064942
SMILES: C1(C(OC(O1)(C(F)F)C(F)(F)F)F)F
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Product OPENEYE NAME: 4,4,5-trichloro-2-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-1,3-dioxolane
CAS Name: 4,4,5-trichloro-2-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-1,3-dioxolane
IUPAC NAME: 4,4,5-trichloro-2-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-1,3-dioxolane
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-4,4,5-tris(chloranyl)-5-fluoranyl-2-(trifluoromethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5HCl3F6O2
MOLECULAR WEIGHT: 313.409659
SMILES: C(C1(OC(C(O1)(Cl)Cl)(F)Cl)C(F)(F)F)(F)F
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Product OPENEYE NAME: (2R,5S)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
CAS Name: (2R,5S)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
IUPAC NAME: (2R,5S)-2-[chloro(difluoro)methyl]-4,4,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane
SYSTEMATIC NAME: (2R,5S)-2-[chloranyl-bis(fluoranyl)methyl]-4,4,5-tris(fluoranyl)-2-(trifluoromethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5HClF8O2
MOLECULAR WEIGHT: 280.500466
SMILES: [C@@H]1(C(O[C@](O1)(C(F)(F)F)C(F)(F)Cl)(F)F)F
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Product OPENEYE NAME: 4,4-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
CAS Name: 4,4-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
IUPAC NAME: 4,4-difluoro-2,2-bis(trifluoromethyl)-1,3-dioxolane
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-2,2-bis(trifluoromethyl)-1,3-dioxolane
MOLECULAR FORMULA: C5H2F8O2
MOLECULAR WEIGHT: 246.055406
SMILES: C1C(OC(O1)(C(F)(F)F)C(F)(F)F)(F)F
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Product OPENEYE NAME: 4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
CAS Name: 4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
IUPAC NAME: 4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
SYSTEMATIC NAME: 4-fluoranyl-6,8-dioxabicyclo[3.2.1]octan-3-one
MOLECULAR FORMULA: C6H7FO3
MOLECULAR WEIGHT: 146.116383
SMILES: C1C2COC(O2)C(C1=O)F
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Product OPENEYE NAME: (2S,3S)-2,3-difluoro-2,3-dihydrobenzofuran
CAS Name: (2S,3S)-2,3-difluoro-2,3-dihydrobenzofuran
IUPAC NAME: (2S,3S)-2,3-difluoro-2,3-dihydro-1-benzofuran
SYSTEMATIC NAME: (2S,3S)-2,3-bis(fluoranyl)-2,3-dihydro-1-benzofuran
MOLECULAR FORMULA: C8H6F2O
MOLECULAR WEIGHT: 156.129446
SMILES: C1=CC=C2C(=C1)[C@@H]([C@@H](O2)F)F
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Product OPENEYE NAME: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
CAS Name: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
IUPAC NAME: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
SYSTEMATIC NAME: 2,4,6,6,7,7-hexakis(fluoranyl)-1,5-dimethoxy-8-oxabicyclo[3.2.1]octan-3-one
MOLECULAR FORMULA: C9H8F6O4
MOLECULAR WEIGHT: 294.147839
SMILES: COC12C(C(=O)C(C(O1)(C(C2(F)F)(F)F)OC)F)F
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Product OPENEYE NAME: 1-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 1-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 1-[(2S,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2S,3S,4R,5R)-4-fluoranyl-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11FN2O5
MOLECULAR WEIGHT: 246.192443
SMILES: C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@H](O2)CO)F)O
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Product OPENEYE NAME: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]oct-3-en-3-ol
CAS Name: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]oct-3-en-3-ol
IUPAC NAME: 2,4,6,6,7,7-hexafluoro-1,5-dimethoxy-8-oxabicyclo[3.2.1]oct-3-en-3-ol
SYSTEMATIC NAME: 2,4,6,6,7,7-hexakis(fluoranyl)-1,5-dimethoxy-8-oxabicyclo[3.2.1]oct-3-en-3-ol
MOLECULAR FORMULA: C9H8F6O4
MOLECULAR WEIGHT: 294.147839
SMILES: COC12C(C(=C(C(O1)(C(C2(F)F)(F)F)OC)F)O)F
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Product OPENEYE NAME: 2-fluoro-2,3,3,4,5-pentakis(trifluoromethyl)furan
CAS Name: 2-fluoro-2,3,3,4,5-pentakis(trifluoromethyl)furan
IUPAC NAME: 2-fluoro-2,3,3,4,5-pentakis(trifluoromethyl)furan
SYSTEMATIC NAME: 2-fluoranyl-2,3,3,4,5-pentakis(trifluoromethyl)furan
MOLECULAR FORMULA: C9F16O
MOLECULAR WEIGHT: 428.070151
SMILES: C1(=C(OC(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 1-[(3aS,4S,6R,6aR)-4-(azidomethyl)-4-fluoro-2-methoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
CAS Name: 1-[(3aS,4S,6R,6aR)-4-(azidomethyl)-4-fluoro-2-methoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
IUPAC NAME: 1-[(3aS,4S,6R,6aR)-4-(azidomethyl)-4-fluoro-2-methoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(3aS,4S,6R,6aR)-4-(azidomethyl)-4-fluoranyl-2-methoxy-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H12FN5O6
MOLECULAR WEIGHT: 329.241283
SMILES: COC1O[C@@H]2[C@H](O1)[C@](O[C@H]2N3C=CC(=O)NC3=O)(CN=[N+]=[N-])F
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Product OPENEYE NAME: [(2R,3S,4S,5R)-3,4-diacetoxy-5-fluoro-tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5R)-3,4-diacetyloxy-5-fluoro-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5R)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5R)-3,4-diacetyloxy-5-fluoranyl-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C11H15FO7
MOLECULAR WEIGHT: 278.231003
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](O1)F)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,4S,5S)-3,4-diacetoxy-5-fluoro-tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4S,5S)-3,4-diacetyloxy-5-fluoro-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S,4S,5S)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4S,5S)-3,4-diacetyloxy-5-fluoranyl-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C11H15FO7
MOLECULAR WEIGHT: 278.231003
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H](O1)F)OC(=O)C)OC(=O)C
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Product OPENEYE NAME: [(2R,3S,4R,5R)-3,4-diacetoxy-5-fluoro-tetrahydrofuran-2-yl]methyl acetate
CAS Name: acetic acid [(2R,3S,4R,5R)-3,4-diacetyloxy-5-fluoro-2-oxolanyl]methyl ester
IUPAC NAME: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-fluorooxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-3,4-diacetyloxy-5-fluoranyl-oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C11H15FO7
MOLECULAR WEIGHT: 278.231003
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@H]([C@H](O1)F)OC(=O)C)OC(=O)C
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