1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone

C9H5ClF4O — CID 119016761

IUPAC1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(Cl)cc(F)cc1C(F)(F)F
InChIInChI=1S/C9H5ClF4O/c1-4(15)8-6(9(12,13)14)2-5(11)3-7(8)10/h2-3H,1H3
InChIKeyCJHNHSXEBFAWMM-UHFFFAOYSA-N
MW240.58 g/mol
LogP3.70
Rot. Bonds1

About 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone

1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone (PubChem CID 119016761) has the molecular formula C9H5ClF4O and a molecular weight of 240.58 g/mol. Its IUPAC name is 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone
PubChem CID119016761
Molecular FormulaC9H5ClF4O
Molecular Weight240.58 g/mol
Exact Mass240.00
IUPAC Name1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone
SMILESCC(=O)c1c(Cl)cc(F)cc1C(F)(F)F
InChIInChI=1S/C9H5ClF4O/c1-4(15)8-6(9(12,13)14)2-5(11)3-7(8)10/h2-3H,1H3
InChIKeyCJHNHSXEBFAWMM-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.58
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-acetyl-5-fluoro-3-(trifluoromethyl)benzaldehyde
CID 171008550
4-acetyl-3-chloro-5-(trifluoromethyl)benzonitrile
CID 171008170
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
1-[3,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 70700251
1-[6-chloro-2-(difluoromethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 171009683
2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
1-[4-chloro-5-methyl-2-(trifluoromethyl)phenyl]ethanone
CID 171003757
1-[3,6-dichloro-2-(trifluoromethyl)phenyl]ethanone
CID 131524733
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
1-[2-(difluoromethyl)-4-hydroxy-6-(trifluoromethyl)phenyl]ethanone
CID 171032599

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone (CID 119016761) is 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone is CC(=O)c1c(Cl)cc(F)cc1C(F)(F)F.
What is the InChIKey of 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone?
The InChIKey is CJHNHSXEBFAWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4O/c1-4(15)8-6(9(12,13)14)2-5(11)3-7(8)10/h2-3H,1H3.
What are the key properties of 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone?
1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone has a molecular weight of 240.58 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 119016761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).