[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone

C14H14ClF3O — CID 94299802

IUPAC[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H14ClF3O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyNSMLPUXTRYJTDF-UHFFFAOYSA-N
MW290.71 g/mol
LogP5.12
Rot. Bonds2

About [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone

[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone (PubChem CID 94299802) has the molecular formula C14H14ClF3O and a molecular weight of 290.71 g/mol. Its IUPAC name is [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
PubChem CID94299802
Molecular FormulaC14H14ClF3O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
SMILESO=C(c1ccc(Cl)c(C(F)(F)F)c1)C1CCCCC1
InChIInChI=1S/C14H14ClF3O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyNSMLPUXTRYJTDF-UHFFFAOYSA-N
XLogP5.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.71
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclobutyl-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 175669825
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclohexyl-(3,4-ditert-butylphenyl)methanone
CID 86188783
1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 124526986
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-cyclohexylmethanone
CID 113080057
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 171678646
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxopropanoic acid
CID 56616467

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone (CID 94299802) is [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone.
What is the SMILES notation for [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The canonical SMILES for [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone is O=C(c1ccc(Cl)c(C(F)(F)F)c1)C1CCCCC1.
What is the InChIKey of [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone?
The InChIKey is NSMLPUXTRYJTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3O/c15-12-7-6-10(8-11(12)14(16,17)18)13(19)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone?
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone has a molecular weight of 290.71 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone is sourced from PubChem (CID 94299802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).