2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone

C14H16ClFO — CID 103039315

IUPAC2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H16ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyQVHSILJUVTUTIL-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone

2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone (PubChem CID 103039315) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
PubChem CID103039315
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
SMILESO=C(Cc1ccc(F)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C14H16ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2
InChIKeyQVHSILJUVTUTIL-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone 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

2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
CID 103038591
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042704
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938
2-(4-chlorophenyl)-1-cyclobutylethanone
CID 61077692
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042596
tert-butyl 3-[2-(3-chloro-4-fluorophenyl)acetyl]pyrrolidine-1-carboxylate
CID 107092124
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone (CID 103039315) is 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone is O=C(Cc1ccc(F)c(Cl)c1)C1CCCCC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone?
The InChIKey is QVHSILJUVTUTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone?
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone has a molecular weight of 254.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone is sourced from PubChem (CID 103039315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).