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

C15H16F4O — CID 104622235

IUPAC2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H16F4O/c16-11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)15(17,18)19/h3-5,8,12-13H,1-2,6-7,9H2
InChIKeyPDADHDJIVGANMA-UHFFFAOYSA-N
MW288.28 g/mol
LogP4.31
Rot. Bonds3

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

2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (PubChem CID 104622235) has the molecular formula C15H16F4O and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
PubChem CID104622235
Molecular FormulaC15H16F4O
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
SMILESO=C(Cc1cccc(F)c1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H16F4O/c16-11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)15(17,18)19/h3-5,8,12-13H,1-2,6-7,9H2
InChIKeyPDADHDJIVGANMA-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-aminocycloheptyl)-2-(3-fluorophenyl)ethanone
CID 116595083
1-(2-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116580048
1-cyclobutyl-2-(3-fluorophenyl)ethanone
CID 61078433
2-(3,5-dimethylphenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105081315
2-(furan-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105125804
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-fluorophenyl)ethanone
CID 61365935
1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
1-(4-aminocyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116557206
3-cyclopentyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-one
CID 114192888
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
(3-ethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105120186

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone (CID 104622235) is 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is O=C(Cc1cccc(F)c1)C1CCCCC1C(F)(F)F.
What is the InChIKey of 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
The InChIKey is PDADHDJIVGANMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4O/c16-11-5-3-4-10(8-11)9-14(20)12-6-1-2-7-13(12)15(17,18)19/h3-5,8,12-13H,1-2,6-7,9H2.
What are the key properties of 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone?
2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone has a molecular weight of 288.28 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone is sourced from PubChem (CID 104622235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).