1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one

C10H8ClF3O — CID 130985316

IUPAC1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
SMILESCC(F)(F)C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF3O/c1-10(13,14)9(15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyFXCKJMUPDOPGHR-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.25
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one

1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one (PubChem CID 130985316) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
PubChem CID130985316
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
SMILESCC(F)(F)C(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H8ClF3O/c1-10(13,14)9(15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3
InChIKeyFXCKJMUPDOPGHR-UHFFFAOYSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one 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-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 107884029
1-(4-chloro-3-fluorophenyl)-4-methylpent-3-en-2-one
CID 107884163
1-(4-chloro-3-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 107890407
1-(4-chloro-3-fluorophenyl)-3-hydroxypentan-2-one
CID 107884157
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911
2-(4-chloro-3-fluorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 107890896
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one (CID 130985316) is 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one is CC(F)(F)C(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one?
The InChIKey is FXCKJMUPDOPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c1-10(13,14)9(15)5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one?
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one has a molecular weight of 236.62 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one is sourced from PubChem (CID 130985316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).