2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone

C15H15ClF4O — CID 107890896

IUPAC2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15ClF4O/c16-12-6-1-9(7-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1,6-7,10-11H,2-5,8H2
InChIKeyAWYDCWQXAOLORZ-UHFFFAOYSA-N
MW322.73 g/mol
LogP4.96
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone

2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 107890896) has the molecular formula C15H15ClF4O and a molecular weight of 322.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID107890896
Molecular FormulaC15H15ClF4O
Molecular Weight322.73 g/mol
Exact Mass322.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(Cl)c(F)c1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H15ClF4O/c16-12-6-1-9(7-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1,6-7,10-11H,2-5,8H2
InChIKeyAWYDCWQXAOLORZ-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chlorobenzophenone
CID 8653
Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
CID 67578
4'-Chloro-2-phenylacetophenone
CID 233840
1-(p-Chlorophenyl)acetone
CID 79699
4-(4-Chlorophenyl)butan-2-one
CID 219277
Ethanone, 2-(4-chlorophenyl)-1-phenyl-
CID 95829
(4-Chlorophenyl)(4-fluorophenyl)methanone
CID 13813634
Crotonophenone, 4'-chloro-4,4,4-trifluoro-3-(trifluoromethyl)-
CID 37139
1-(4-Chlorophenyl)-2,2-difluoroethanone
CID 11424072
4'-Chloro-4-fluorochalcone
CID 292907
1-(4-Chlorophenyl)-3,3,3-trifluoro-1-propanone
CID 11031469
3-(4-Chlorophenyl)cyclohexan-1-one
CID 11241243

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone (CID 107890896) is 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1ccc(Cl)c(F)c1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is AWYDCWQXAOLORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF4O/c16-12-6-1-9(7-13(12)17)8-14(21)10-2-4-11(5-3-10)15(18,19)20/h1,6-7,10-11H,2-5,8H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone?
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 322.73 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 107890896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).