2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

C15H11ClF2O — CID 102857168

IUPAC2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C15H11ClF2O/c1-9-5-6-10(7-13(9)17)14(19)8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyKMPMBHICCRXLGQ-UHFFFAOYSA-N
MW280.70 g/mol
LogP4.35
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (PubChem CID 102857168) has the molecular formula C15H11ClF2O and a molecular weight of 280.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
PubChem CID102857168
Molecular FormulaC15H11ClF2O
Molecular Weight280.70 g/mol
Exact Mass280.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cc2cccc(Cl)c2F)cc1F
InChIInChI=1S/C15H11ClF2O/c1-9-5-6-10(7-13(9)17)14(19)8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3
InChIKeyKMPMBHICCRXLGQ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.70
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-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-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(2,5-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 65317110
2-(2-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 54919565
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-methylphenyl)ethanone
CID 115790146
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
1-(3-chloro-4-methylphenyl)-2-(2-chlorophenyl)ethanone
CID 63528027
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone (CID 102857168) is 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)Cc2cccc(Cl)c2F)cc1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
The InChIKey is KMPMBHICCRXLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O/c1-9-5-6-10(7-13(9)17)14(19)8-11-3-2-4-12(16)15(11)18/h2-7H,8H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone has a molecular weight of 280.70 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 102857168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).