2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

C15H16ClF3O — CID 104622227

IUPAC2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H16ClF3O/c16-13-8-4-1-5-10(13)9-14(20)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2
InChIKeyJECHAPMZKRJKOZ-UHFFFAOYSA-N
MW304.74 g/mol
LogP4.82
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone

2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 104622227) has the molecular formula C15H16ClF3O and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID104622227
Molecular FormulaC15H16ClF3O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1ccccc1Cl)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H16ClF3O/c16-13-8-4-1-5-10(13)9-14(20)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2
InChIKeyJECHAPMZKRJKOZ-UHFFFAOYSA-N
XLogP4.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622235
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105081315
2-(2-chlorophenyl)-1-(2-methylpyrrolidin-3-yl)ethanone
CID 116592173
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
CID 124512685
2-[(2-chlorophenyl)methyl]cyclohexane-1-carboxylic acid
CID 81008869
N-[(2-bromophenyl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583720
3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 2781549
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
CID 107187655

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 104622227) is 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1ccccc1Cl)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is JECHAPMZKRJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3O/c16-13-8-4-1-5-10(13)9-14(20)11-6-2-3-7-12(11)15(17,18)19/h1,4-5,8,11-12H,2-3,6-7,9H2.
What are the key properties of 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 304.74 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 104622227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).