1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one

C92H104Cl4F8N4O4 — CID 158577448

IUPAC1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1
InChIInChI=1S/4C23H26ClF2NO/c4*1-2-15(14-22(28)18-10-12-19(24)13-11-18)16-6-8-17(9-7-16)20-4-3-5-21(27-20)23(25)26/h4*3-5,10-13,15-17,23H,2,6-9,14H2,1H3/t3*15-,16?,17?;/m100./s1
InChIKeyHSVIKIQUDVQREG-RDMCBDAFSA-N
MW1623.66 g/mol
LogP28.98
Rot. Bonds28

About 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one

1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one (PubChem CID 158577448) has the molecular formula C92H104Cl4F8N4O4 and a molecular weight of 1623.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
PubChem CID158577448
Molecular FormulaC92H104Cl4F8N4O4
Molecular Weight1623.66 g/mol
Exact Mass1620.67
IUPAC Name1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
SMILESCCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1
InChIInChI=1S/4C23H26ClF2NO/c4*1-2-15(14-22(28)18-10-12-19(24)13-11-18)16-6-8-17(9-7-16)20-4-3-5-21(27-20)23(25)26/h4*3-5,10-13,15-17,23H,2,6-9,14H2,1H3/t3*15-,16?,17?;/m100./s1
InChIKeyHSVIKIQUDVQREG-RDMCBDAFSA-N
XLogP28.98
TPSA119.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001623.66
LogP ≤ 528.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one with MolForge

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Related Compounds

(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
CID 149011393
7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;(7R)-7-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(5,6,7,8-tetrahydroquinolin-2-yl)nonan-5-one;1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one;(7R)-1-(5,6,7,8-tetrahydroquinolin-2-yl)-7-[3-(trifluoromethyl)phenyl]nonan-5-one
CID 158036096
Bis[4-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]phenyl]methanone
CID 174616122
(3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
CID 158577449
1-(4-Chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one
CID 158577450
[4-[3,5-Bis[6-(2,6-diphenyl-4-pyridinyl)-2,4-diphenyl-3-pyridinyl]phenyl]phenyl]-phenylmethanone
CID 59428689
1-[6-[[5-Chloro-2-[2-(2-fluoro-4,6-dimethylphenyl)ethyl]phenyl]methyl]-2-pyridinyl]butan-1-one;2-[(2,5-dimethylphenyl)methyl]-6-pent-1-en-2-ylpyridine;ethane;1-ethyl-4-fluorobenzene
CID 143249338
1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one;(3S)-1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one;bis((3R)-1-(4-chlorophenyl)-3-[4-(2-methyl-4-pyridinyl)cyclohexyl]butan-1-one)
CID 157106677
1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one
CID 158267561
bis((3S)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one);bis((3R)-1-(4-chlorophenyl)-3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentan-1-one)
CID 158267565
bis(4-chloro-2,5-dimethyl-5,6,7,8-tetrahydroquinoline);bis(4-chloro-2-methyl-7,8-dihydro-6H-quinolin-5-one);methane;2,4,5-trimethyl-5,6,7,8-tetrahydroquinoline
CID 158582416
6-(2-chloro-4-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;6-(5-fluoro-3-pyridinyl)-5-methyl-3,4-dihydro-2H-naphthalen-1-one;methane;5-methyl-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one;5-methyl-6-(5-methyl-3-pyridinyl)-3,4-dihydro-2H-naphthalen-1-one
CID 159076846

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one (CID 158577448) is 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one is CCC(CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.CC[C@H](CC(=O)c1ccc(Cl)cc1)C1CCC(c2cccc(C(F)F)n2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one?
The InChIKey is HSVIKIQUDVQREG-RDMCBDAFSA-N. The full InChI is InChI=1S/4C23H26ClF2NO/c4*1-2-15(14-22(28)18-10-12-19(24)13-11-18)16-6-8-17(9-7-16)20-4-3-5-21(27-20)23(25)26/h4*3-5,10-13,15-17,23H,2,6-9,14H2,1H3/t3*15-,16?,17?;/m100./s1.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one?
1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one has a molecular weight of 1623.66 g/mol, XLogP of 28.98, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one;bis((3S)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);(3R)-1-(4-chlorophenyl)-3-[4-[6-(difluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one is sourced from PubChem (CID 158577448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).