1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone

C10H6ClF5O — CID 171009683

IUPAC1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(Cl)ccc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H6ClF5O/c1-4(17)7-6(11)3-2-5(10(14,15)16)8(7)9(12)13/h2-3,9H,1H3
InChIKeyCJQVUNXCGWQAMD-UHFFFAOYSA-N
MW272.60 g/mol
LogP4.50
Rot. Bonds2

About 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone

1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 171009683) has the molecular formula C10H6ClF5O and a molecular weight of 272.60 g/mol. Its IUPAC name is 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
PubChem CID171009683
Molecular FormulaC10H6ClF5O
Molecular Weight272.60 g/mol
Exact Mass272.00
IUPAC Name1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(Cl)ccc(C(F)(F)F)c1C(F)F
InChIInChI=1S/C10H6ClF5O/c1-4(17)7-6(11)3-2-5(10(14,15)16)8(7)9(12)13/h2-3,9H,1H3
InChIKeyCJQVUNXCGWQAMD-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.60
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]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-[3-chloro-2-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171009956
3-acetyl-4-chloro-2-(difluoromethyl)benzonitrile
CID 171001262
1-[3,6-dichloro-2-(trifluoromethyl)phenyl]ethanone
CID 131524733
1-[3-chloro-2-(difluoromethyl)-6-hydroxyphenyl]ethanone
CID 171006983
1-[2-bromo-3-(difluoromethyl)-4-(trifluoromethyl)phenyl]ethanone
CID 171000631
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599
6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone
CID 119016761
(2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66513387
2-[2-(difluoromethyl)-6-(trifluoromethyl)phenyl]propanoic acid
CID 175420502

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone (CID 171009683) is 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone is CC(=O)c1c(Cl)ccc(C(F)(F)F)c1C(F)F.
What is the InChIKey of 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CJQVUNXCGWQAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF5O/c1-4(17)7-6(11)3-2-5(10(14,15)16)8(7)9(12)13/h2-3,9H,1H3.
What are the key properties of 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone?
1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 272.60 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 171009683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).