2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one

C10H7ClF4O — CID 134619728

IUPAC2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H7ClF4O/c1-5(11)9(16)7-3-2-6(12)4-8(7)10(13,14)15/h2-5H,1H3
InChIKeyLRKFOUMHKYSWKR-UHFFFAOYSA-N
MW254.61 g/mol
LogP3.65
Rot. Bonds2

About 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one

2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 134619728) has the molecular formula C10H7ClF4O and a molecular weight of 254.61 g/mol. Its IUPAC name is 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
PubChem CID134619728
Molecular FormulaC10H7ClF4O
Molecular Weight254.61 g/mol
Exact Mass254.01
IUPAC Name2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
SMILESCC(Cl)C(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C10H7ClF4O/c1-5(11)9(16)7-3-2-6(12)4-8(7)10(13,14)15/h2-5H,1H3
InChIKeyLRKFOUMHKYSWKR-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.61
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-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

2-chloro-1-[4-(difluoromethoxy)-2-(trifluoromethyl)phenyl]propan-1-one
CID 134619683
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-propylpentan-1-one
CID 146008841
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119358734
2-chloro-1-[2-(chloromethyl)-4-fluorophenyl]propan-1-one
CID 131075632
3-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134626215
2-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 117115583
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008829
(2,3,4,5,6-pentafluorophenyl) 4-fluoro-2-(trifluoromethyl)benzoate
CID 91730898
1-[2-amino-4-(trifluoromethyl)phenyl]-2-chloropropan-1-one
CID 166641473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one (CID 134619728) is 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one is CC(Cl)C(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is LRKFOUMHKYSWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O/c1-5(11)9(16)7-3-2-6(12)4-8(7)10(13,14)15/h2-5H,1H3.
What are the key properties of 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one?
2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 254.61 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 134619728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).