Thursday, September 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (1S,2S)-1-chloro-2-fluoro-cyclohexane
CAS Name: (1S,2S)-1-chloro-2-fluorocyclohexane
IUPAC NAME: (1S,2S)-1-chloro-2-fluorocyclohexane
SYSTEMATIC NAME: (1S,2S)-1-chloranyl-2-fluoranyl-cyclohexane
MOLECULAR FORMULA: C6H10ClF
MOLECULAR WEIGHT: 136.595003
SMILES: C1CC[C@@H]([C@H](C1)F)Cl
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Product OPENEYE NAME: (1R,3R)-1-chloro-3-fluoro-cyclohexane
CAS Name: (1R,3R)-1-chloro-3-fluorocyclohexane
IUPAC NAME: (1R,3R)-1-chloro-3-fluorocyclohexane
SYSTEMATIC NAME: (1R,3R)-1-chloranyl-3-fluoranyl-cyclohexane
MOLECULAR FORMULA: C6H10ClF
MOLECULAR WEIGHT: 136.595003
SMILES: C1C[C@H](C[C@@H](C1)Cl)F
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Product OPENEYE NAME: (1R,3S)-1-chloro-3-fluoro-cyclohexane
CAS Name: (1R,3S)-1-chloro-3-fluorocyclohexane
IUPAC NAME: (1R,3S)-1-chloro-3-fluorocyclohexane
SYSTEMATIC NAME: (1R,3S)-1-chloranyl-3-fluoranyl-cyclohexane
MOLECULAR FORMULA: C6H10ClF
MOLECULAR WEIGHT: 136.595003
SMILES: C1C[C@@H](C[C@@H](C1)Cl)F
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Product OPENEYE NAME: 5,5-difluorooxepan-2-one
CAS Name: 5,5-difluoro-2-oxepanone
IUPAC NAME: 5,5-difluorooxepan-2-one
SYSTEMATIC NAME: 5,5-bis(fluoranyl)oxepan-2-one
MOLECULAR FORMULA: C6H8F2O2
MOLECULAR WEIGHT: 150.123326
SMILES: C1CC(CCOC1=O)(F)F
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Product OPENEYE NAME: 5,5-difluoroazepan-2-one
CAS Name: 5,5-difluoro-2-azepanone
IUPAC NAME: 5,5-difluoroazepan-2-one
SYSTEMATIC NAME: 5,5-bis(fluoranyl)azepan-2-one
MOLECULAR FORMULA: C6H9F2NO
MOLECULAR WEIGHT: 149.138566
SMILES: C1CC(CCNC1=O)(F)F
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Product OPENEYE NAME: 2,2,3,3,5,5,6,6,7,7-decafluoro-1-(trifluoromethyl)norbornane
CAS Name: 2,2,3,3,5,5,6,6,7,7-decafluoro-4-(trifluoromethyl)bicyclo[2.2.1]heptane
IUPAC NAME: 2,2,3,3,5,5,6,6,7,7-decafluoro-4-(trifluoromethyl)bicyclo[2.2.1]heptane
SYSTEMATIC NAME: 2,2,3,3,5,5,6,6,7,7-decakis(fluoranyl)-4-(trifluoromethyl)bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C8HF13
MOLECULAR WEIGHT: 344.072782
SMILES: C12C(C(C(C1(F)F)(F)F)(C(C2(F)F)(F)F)C(F)(F)F)(F)F
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Product OPENEYE NAME: 3,3-difluoro-1-(trifluoromethyl)cyclopropene
CAS Name: 3,3-difluoro-1-(trifluoromethyl)cyclopropene
IUPAC NAME: 3,3-difluoro-1-(trifluoromethyl)cyclopropene
SYSTEMATIC NAME: 3,3-bis(fluoranyl)-1-(trifluoromethyl)cyclopropene
MOLECULAR FORMULA: C4HF5
MOLECULAR WEIGHT: 144.042756
SMILES: C1=C(C1(F)F)C(F)(F)F
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Product OPENEYE NAME: 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclopropene
CAS Name: 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclopropene
IUPAC NAME: 3,3-difluoro-1-(1,1,2,2,2-pentafluoroethyl)cyclopropene
SYSTEMATIC NAME: 3,3-bis(fluoranyl)-1-[1,1,2,2,2-pentakis(fluoranyl)ethyl]cyclopropene
MOLECULAR FORMULA: C5HF7
MOLECULAR WEIGHT: 194.050262
SMILES: C1=C(C1(F)F)C(C(F)(F)F)(F)F
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Product OPENEYE NAME: 3,3-difluoro-1-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]cyclopropene
CAS Name: 3,3-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopropene
IUPAC NAME: 3,3-difluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopropene
SYSTEMATIC NAME: 3,3-bis(fluoranyl)-1-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]cyclopropene
MOLECULAR FORMULA: C6HF9
MOLECULAR WEIGHT: 244.057769
SMILES: C1=C(C1(F)F)C(C(F)(F)F)(C(F)(F)F)F
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Product OPENEYE NAME: 3,3,4,4-tetrafluoro-1-iodo-cyclobutene
CAS Name: 3,3,4,4-tetrafluoro-1-iodocyclobutene
IUPAC NAME: 3,3,4,4-tetrafluoro-1-iodocyclobutene
SYSTEMATIC NAME: 3,3,4,4-tetrakis(fluoranyl)-1-iodanyl-cyclobutene
MOLECULAR FORMULA: C4HF4I
MOLECULAR WEIGHT: 251.948823
SMILES: C1=C(C(C1(F)F)(F)F)I
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Product OPENEYE NAME: 3,3,4,4-tetrafluoro-1-methyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]cyclobutene
CAS Name: 3,3,4,4-tetrafluoro-1-methyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]cyclobutene
IUPAC NAME: 3,3,4,4-tetrafluoro-1-methyl-2-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]cyclobutene
SYSTEMATIC NAME: 3,3,4,4-tetrakis(fluoranyl)-1-methyl-2-[(Z)-2,3,3,3-tetrakis(fluoranyl)prop-1-enyl]cyclobutene
MOLECULAR FORMULA: C8H4F8
MOLECULAR WEIGHT: 252.104586
SMILES: CC1=C(C(C1(F)F)(F)F)/C=C(/C(F)(F)F)\F
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Product OPENEYE NAME: 3,3-difluoro-2-methyl-1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-5,8-dioxaspiro[3.4]oct-1-ene
CAS Name: 3,3-difluoro-2-methyl-1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-5,8-dioxaspiro[3.4]oct-1-ene
IUPAC NAME: 3,3-difluoro-2-methyl-1-[(Z)-2,3,3,3-tetrafluoroprop-1-enyl]-5,8-dioxaspiro[3.4]oct-1-ene
SYSTEMATIC NAME: 3,3-bis(fluoranyl)-2-methyl-1-[(Z)-2,3,3,3-tetrakis(fluoranyl)prop-1-enyl]-5,8-dioxaspiro[3.4]oct-1-ene
MOLECULAR FORMULA: C10H8F6O2
MOLECULAR WEIGHT: 274.159739
SMILES: CC1=C(C2(C1(F)F)OCCO2)/C=C(/C(F)(F)F)\F
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Product OPENEYE NAME: 1,4,4-trifluoro-3-methoxy-cyclobutene
CAS Name: 1,4,4-trifluoro-3-methoxycyclobutene
IUPAC NAME: 1,4,4-trifluoro-3-methoxycyclobutene
SYSTEMATIC NAME: 1,4,4-tris(fluoranyl)-3-methoxy-cyclobutene
MOLECULAR FORMULA: C5H5F3O
MOLECULAR WEIGHT: 138.08781
SMILES: COC1C=C(C1(F)F)F
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Product OPENEYE NAME: 4,4-difluoro-1,3-dimethoxy-cyclobutene
CAS Name: 4,4-difluoro-1,3-dimethoxycyclobutene
IUPAC NAME: 4,4-difluoro-1,3-dimethoxycyclobutene
SYSTEMATIC NAME: 4,4-bis(fluoranyl)-1,3-dimethoxy-cyclobutene
MOLECULAR FORMULA: C6H8F2O2
MOLECULAR WEIGHT: 150.123326
SMILES: COC1C=C(C1(F)F)OC
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Product OPENEYE NAME: 3-ethoxy-1,4,4-trifluoro-cyclobutene
CAS Name: 3-ethoxy-1,4,4-trifluorocyclobutene
IUPAC NAME: 3-ethoxy-1,4,4-trifluorocyclobutene
SYSTEMATIC NAME: 3-ethoxy-1,4,4-tris(fluoranyl)cyclobutene
MOLECULAR FORMULA: C6H7F3O
MOLECULAR WEIGHT: 152.11439
SMILES: CCOC1C=C(C1(F)F)F
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