2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone

C15H10ClF3O — CID 103042811

IUPAC2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C15H10ClF3O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-3-5-11(17)10(16)6-9/h2-6H,7H2,1H3
InChIKeyAJWCIOXFQXQAEW-UHFFFAOYSA-N
MW298.69 g/mol
LogP4.49
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone (PubChem CID 103042811) has the molecular formula C15H10ClF3O and a molecular weight of 298.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
PubChem CID103042811
Molecular FormulaC15H10ClF3O
Molecular Weight298.69 g/mol
Exact Mass298.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc(F)c(Cl)c2)c1F
InChIInChI=1S/C15H10ClF3O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-3-5-11(17)10(16)6-9/h2-6H,7H2,1H3
InChIKeyAJWCIOXFQXQAEW-UHFFFAOYSA-N
XLogP4.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)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

2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974389
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82815251
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone (CID 103042811) is 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone is Cc1ccc(F)c(C(=O)Cc2ccc(F)c(Cl)c2)c1F.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
The InChIKey is AJWCIOXFQXQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O/c1-8-2-4-12(18)14(15(8)19)13(20)7-9-3-5-11(17)10(16)6-9/h2-6H,7H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone has a molecular weight of 298.69 g/mol, XLogP of 4.49, 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-(2,6-difluoro-3-methylphenyl)ethanone is sourced from PubChem (CID 103042811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).