Tuesday, September 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2R,3R)-2-fluoro-3-(2-methylallyl)cyclohexanone
CAS Name: (2R,3R)-2-fluoro-3-(2-methylprop-2-enyl)-1-cyclohexanone
IUPAC NAME: (2R,3R)-2-fluoro-3-(2-methylprop-2-enyl)cyclohexan-1-one
SYSTEMATIC NAME: (2R,3R)-2-fluoranyl-3-(2-methylprop-2-enyl)cyclohexan-1-one
MOLECULAR FORMULA: C10H15FO
MOLECULAR WEIGHT: 170.223903
SMILES: CC(=C)C[C@H]1CCCC(=O)[C@@H]1F
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Product OPENEYE NAME: 6-fluorobicyclo[4.2.0]octan-5-one
CAS Name: 6-fluoro-5-bicyclo[4.2.0]octanone
IUPAC NAME: 6-fluorobicyclo[4.2.0]octan-5-one
SYSTEMATIC NAME: 6-fluoranylbicyclo[4.2.0]octan-5-one
MOLECULAR FORMULA: C8H11FO
MOLECULAR WEIGHT: 142.170743
SMILES: C1CC2CCC2(C(=O)C1)F
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Product OPENEYE NAME: (1R,6S)-6-fluoro-8,8-dimethyl-bicyclo[4.2.0]octan-5-one
CAS Name: (1R,6S)-6-fluoro-8,8-dimethyl-5-bicyclo[4.2.0]octanone
IUPAC NAME: (1R,6S)-6-fluoro-8,8-dimethylbicyclo[4.2.0]octan-5-one
SYSTEMATIC NAME: (1R,6S)-6-fluoranyl-8,8-dimethyl-bicyclo[4.2.0]octan-5-one
MOLECULAR FORMULA: C10H15FO
MOLECULAR WEIGHT: 170.223903
SMILES: CC1(C[C@@]2([C@@H]1CCCC2=O)F)C
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Product OPENEYE NAME: (1S,6S)-6-fluoro-8,8-dimethyl-bicyclo[4.2.0]octan-5-one
CAS Name: (1S,6S)-6-fluoro-8,8-dimethyl-5-bicyclo[4.2.0]octanone
IUPAC NAME: (1S,6S)-6-fluoro-8,8-dimethylbicyclo[4.2.0]octan-5-one
SYSTEMATIC NAME: (1S,6S)-6-fluoranyl-8,8-dimethyl-bicyclo[4.2.0]octan-5-one
MOLECULAR FORMULA: C10H15FO
MOLECULAR WEIGHT: 170.223903
SMILES: CC1(C[C@@]2([C@H]1CCCC2=O)F)C
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Product OPENEYE NAME: 2-fluoro-2-(2-methylallyl)cyclohexanone
CAS Name: 2-fluoro-2-(2-methylprop-2-enyl)-1-cyclohexanone
IUPAC NAME: 2-fluoro-2-(2-methylprop-2-enyl)cyclohexan-1-one
SYSTEMATIC NAME: 2-fluoranyl-2-(2-methylprop-2-enyl)cyclohexan-1-one
MOLECULAR FORMULA: C10H15FO
MOLECULAR WEIGHT: 170.223903
SMILES: CC(=C)CC1(CCCCC1=O)F
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Product OPENEYE NAME: (1Z,10S)-1-bromo-10-fluoro-cyclodecene
CAS Name: (1Z,10S)-1-bromo-10-fluorocyclodecene
IUPAC NAME: (1Z,10S)-1-bromo-10-fluorocyclodecene
SYSTEMATIC NAME: (1Z,10S)-1-bromanyl-10-fluoranyl-cyclodecene
MOLECULAR FORMULA: C10H16BrF
MOLECULAR WEIGHT: 235.136443
SMILES: C1CCC/C=C(/[C@H](CCC1)F)\Br
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Product OPENEYE NAME: (1E,10R)-1-bromo-10-fluoro-cyclodecene
CAS Name: (1E,10R)-1-bromo-10-fluorocyclodecene
IUPAC NAME: (1E,10R)-1-bromo-10-fluorocyclodecene
SYSTEMATIC NAME: (1E,10R)-1-bromanyl-10-fluoranyl-cyclodecene
MOLECULAR FORMULA: C10H16BrF
MOLECULAR WEIGHT: 235.136443
SMILES: C1CCC/C=C(\[C@@H](CCC1)F)/Br
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Product OPENEYE NAME: (2S,6S)-2-bromo-6-fluoro-3,3,5,5-tetramethyl-cyclohexanone
CAS Name: (2S,6S)-2-bromo-6-fluoro-3,3,5,5-tetramethyl-1-cyclohexanone
IUPAC NAME: (2S,6S)-2-bromo-6-fluoro-3,3,5,5-tetramethylcyclohexan-1-one
SYSTEMATIC NAME: (2S,6S)-2-bromanyl-6-fluoranyl-3,3,5,5-tetramethyl-cyclohexan-1-one
MOLECULAR FORMULA: C10H16BrFO
MOLECULAR WEIGHT: 251.135843
SMILES: CC1(CC([C@@H](C(=O)[C@H]1F)Br)(C)C)C
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Product OPENEYE NAME: (2S,6R)-2-bromo-6-fluoro-3,3,5,5-tetramethyl-cyclohexanone
CAS Name: (2S,6R)-2-bromo-6-fluoro-3,3,5,5-tetramethyl-1-cyclohexanone
IUPAC NAME: (2S,6R)-2-bromo-6-fluoro-3,3,5,5-tetramethylcyclohexan-1-one
SYSTEMATIC NAME: (2S,6R)-2-bromanyl-6-fluoranyl-3,3,5,5-tetramethyl-cyclohexan-1-one
MOLECULAR FORMULA: C10H16BrFO
MOLECULAR WEIGHT: 251.135843
SMILES: CC1(CC([C@@H](C(=O)[C@@H]1F)Br)(C)C)C
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Product OPENEYE NAME: 2-bromo-2-fluoro-3,3,5,5-tetramethyl-cyclohexanone
CAS Name: 2-bromo-2-fluoro-3,3,5,5-tetramethyl-1-cyclohexanone
IUPAC NAME: 2-bromo-2-fluoro-3,3,5,5-tetramethylcyclohexan-1-one
SYSTEMATIC NAME: 2-bromanyl-2-fluoranyl-3,3,5,5-tetramethyl-cyclohexan-1-one
MOLECULAR FORMULA: C10H16BrFO
MOLECULAR WEIGHT: 251.135843
SMILES: CC1(CC(=O)C(C(C1)(C)C)(F)Br)C
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Product OPENEYE NAME: (1R,2S,4S)-2-fluoro-2,3,3-trimethyl-norbornane
CAS Name: (1S,3S,4R)-3-fluoro-2,2,3-trimethylbicyclo[2.2.1]heptane
IUPAC NAME: (1S,3S,4R)-3-fluoro-2,2,3-trimethylbicyclo[2.2.1]heptane
SYSTEMATIC NAME: (1S,3S,4R)-3-fluoranyl-2,2,3-trimethyl-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C10H17F
MOLECULAR WEIGHT: 156.240383
SMILES: C[C@@]1([C@@H]2CC[C@@H](C2)C1(C)C)F
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Product OPENEYE NAME: (2S,3R,4aR,8aR)-3-fluorodecalin-2-ol
CAS Name: (2S,3R,4aR,8aR)-3-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
IUPAC NAME: (2S,3R,4aR,8aR)-3-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SYSTEMATIC NAME: (2S,3R,4aR,8aR)-3-fluoranyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
MOLECULAR FORMULA: C10H17FO
MOLECULAR WEIGHT: 172.239783
SMILES: C1CC[C@@H]2C[C@H]([C@H](C[C@H]2C1)O)F
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Product OPENEYE NAME: (3R,4aR,8aR)-3-fluorodecalin-2,2-diol
CAS Name: (3R,4aR,8aR)-3-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
IUPAC NAME: (3R,4aR,8aR)-3-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
SYSTEMATIC NAME: (3R,4aR,8aR)-3-fluoranyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
MOLECULAR FORMULA: C10H17FO2
MOLECULAR WEIGHT: 188.239183
SMILES: C1CC[C@@H]2CC([C@@H](C[C@H]2C1)F)(O)O
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Product OPENEYE NAME: (1S,4aR,8aS)-1-fluorodecalin-2,2-diol
CAS Name: (1S,4aR,8aS)-1-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
IUPAC NAME: (1S,4aR,8aS)-1-fluoro-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
SYSTEMATIC NAME: (1S,4aR,8aS)-1-fluoranyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-2,2-diol
MOLECULAR FORMULA: C10H17FO2
MOLECULAR WEIGHT: 188.239183
SMILES: C1CC[C@H]2[C@H](C1)CCC([C@H]2F)(O)O
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Product OPENEYE NAME: (1R,2R)-1,2-difluorotetralin
CAS Name: (1R,2R)-1,2-difluoro-1,2,3,4-tetrahydronaphthalene
IUPAC NAME: (1R,2R)-1,2-difluoro-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: (1R,2R)-1,2-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C10H10F2
MOLECULAR WEIGHT: 168.183206
SMILES: C1CC2=CC=CC=C2[C@H]([C@@H]1F)F
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Product OPENEYE NAME: (1R,2S)-1,2-difluorotetralin
CAS Name: (1R,2S)-1,2-difluoro-1,2,3,4-tetrahydronaphthalene
IUPAC NAME: (1R,2S)-1,2-difluoro-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: (1R,2S)-1,2-bis(fluoranyl)-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C10H10F2
MOLECULAR WEIGHT: 168.183206
SMILES: C1CC2=CC=CC=C2[C@H]([C@H]1F)F
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Product OPENEYE NAME: 2,2,6,6-tetrafluoroadamantane
CAS Name: 2,2,6,6-tetrafluoroadamantane
IUPAC NAME: 2,2,6,6-tetrafluoroadamantane
SYSTEMATIC NAME: 2,2,6,6-tetrakis(fluoranyl)adamantane
MOLECULAR FORMULA: C10H12F4
MOLECULAR WEIGHT: 208.195893
SMILES: C1C2CC3CC(C2(F)F)CC1C3(F)F
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Product OPENEYE NAME: dimethyl (1S,4R)-2,2,3,3-tetrafluorocyclohexane-1,4-dicarboxylate
CAS Name: (1S,4R)-2,2,3,3-tetrafluorocyclohexane-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (1S,4R)-2,2,3,3-tetrafluorocyclohexane-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (1S,4R)-2,2,3,3-tetrakis(fluoranyl)cyclohexane-1,4-dicarboxylate
MOLECULAR FORMULA: C10H12F4O4
MOLECULAR WEIGHT: 272.193493
SMILES: COC(=O)[C@H]1CC[C@H](C(C1(F)F)(F)F)C(=O)OC
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Product OPENEYE NAME: (3aS,5R,7aR)-2,5,6,7,7a-pentafluoro-3a-methyl-4,5-dihydroinden-1-one
CAS Name: (3aS,5R,7aR)-2,5,6,7,7a-pentafluoro-3a-methyl-4,5-dihydroinden-1-one
IUPAC NAME: (3aS,5R,7aR)-2,5,6,7,7a-pentafluoro-3a-methyl-4,5-dihydroinden-1-one
SYSTEMATIC NAME: (3aS,5R,7aR)-2,5,6,7,7a-pentakis(fluoranyl)-3a-methyl-4,5-dihydroinden-1-one
MOLECULAR FORMULA: C10H7F5O
MOLECULAR WEIGHT: 238.153996
SMILES: C[C@@]12C[C@H](C(=C([C@@]1(C(=O)C(=C2)F)F)F)F)F
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Product OPENEYE NAME: dimethyl (1S,4S)-1,2,2,3,3-pentafluorocyclohexane-1,4-dicarboxylate
CAS Name: (1S,4S)-1,2,2,3,3-pentafluorocyclohexane-1,4-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl (1S,4S)-1,2,2,3,3-pentafluorocyclohexane-1,4-dicarboxylate
SYSTEMATIC NAME: dimethyl (1S,4S)-1,2,2,3,3-pentakis(fluoranyl)cyclohexane-1,4-dicarboxylate
MOLECULAR FORMULA: C10H11F5O4
MOLECULAR WEIGHT: 290.183956
SMILES: COC(=O)[C@@H]1CC[C@@](C(C1(F)F)(F)F)(C(=O)OC)F
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Product OPENEYE NAME: 2,4-dichloro-3,4,5,6,7,8-hexafluoro-naphthalen-1-one
CAS Name: 2,4-dichloro-3,4,5,6,7,8-hexafluoro-1-naphthalenone
IUPAC NAME: 2,4-dichloro-3,4,5,6,7,8-hexafluoronaphthalen-1-one
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3,4,5,6,7,8-hexakis(fluoranyl)naphthalen-1-one
MOLECULAR FORMULA: C10Cl2F6O
MOLECULAR WEIGHT: 321.002819
SMILES: C12=C(C(=C(C(=C1F)F)F)F)C(C(=C(C2=O)Cl)F)(F)Cl
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Product OPENEYE NAME: triethyl-(2,3,3,4,4-pentafluorocyclobuten-1-yl)ammonium
CAS Name: triethyl-(2,3,3,4,4-pentafluoro-1-cyclobutenyl)ammonium
IUPAC NAME: triethyl-(2,3,3,4,4-pentafluorocyclobuten-1-yl)azanium
SYSTEMATIC NAME: triethyl-[2,3,3,4,4-pentakis(fluoranyl)cyclobuten-1-yl]azanium
MOLECULAR FORMULA: C10H15F5N+
MOLECULAR WEIGHT: 244.224816
SMILES: CC[N+](CC)(CC)C1=C(C(C1(F)F)(F)F)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H10BrF
MOLECULAR WEIGHT: 241.099503
SMILES: C1[C@@H]([C@@H]2C([C@H]1C3=CC=CC=C23)Br)F
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