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

C9H7ClF2O — CID 130981144

IUPAC2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CCl)c(F)c1F
InChIInChI=1S/C9H7ClF2O/c1-5-2-3-6(7(13)4-10)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyZCGPHAFHIPSRTH-UHFFFAOYSA-N
MW204.60 g/mol
LogP2.69
Rot. Bonds2

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

2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone (PubChem CID 130981144) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
PubChem CID130981144
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CCl)c(F)c1F
InChIInChI=1S/C9H7ClF2O/c1-5-2-3-6(7(13)4-10)9(12)8(5)11/h2-3H,4H2,1H3
InChIKeyZCGPHAFHIPSRTH-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(2,3-difluoro-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-chloro-1-(2-chloro-3-fluoro-4-methylphenyl)ethanone
CID 130775332
2-chloro-1-(3-fluoro-2-iodo-4-methylphenyl)ethanone
CID 171011725
2-chloro-1-(2,3-difluoro-4-hydroxyphenyl)ethanone
CID 130769171
3-(2,3-difluoro-4-methylphenyl)-3-oxopropanoic acid
CID 170887172
6-(2-chloroacetyl)-2-fluoro-3-methylbenzonitrile
CID 171011400
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
1-(2,3-difluoro-4-methylphenyl)-2-phenylethanone
CID 107512541
2-chloro-1-(2,3-difluoro-4-nitrophenyl)ethanone
CID 131580406
2-(2-chloro-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107512602
4-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514965
N-[3-(2-chloroacetyl)-2,6-difluorophenyl]acetamide
CID 138485796
7-amino-1-(2,3-difluoro-4-methylphenyl)heptan-1-one
CID 107514831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone?
The IUPAC name of 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone (CID 130981144) is 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone.
What is the SMILES notation for 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone?
The canonical SMILES for 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone is Cc1ccc(C(=O)CCl)c(F)c1F.
What is the InChIKey of 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone?
The InChIKey is ZCGPHAFHIPSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c1-5-2-3-6(7(13)4-10)9(12)8(5)11/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone?
2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone has a molecular weight of 204.60 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,3-difluoro-4-methylphenyl)ethanone is sourced from PubChem (CID 130981144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).