1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one

C10H10ClFO — CID 131010218

IUPAC1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1cccc(C)c1F
InChIInChI=1S/C10H10ClFO/c1-6-4-3-5-8(10(6)12)9(11)7(2)13/h3-5,9H,1-2H3
InChIKeyYVCMWNPTXXOMRD-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.00
Rot. Bonds2

About 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one

1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one (PubChem CID 131010218) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
PubChem CID131010218
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one
SMILESCC(=O)C(Cl)c1cccc(C)c1F
InChIInChI=1S/C10H10ClFO/c1-6-4-3-5-8(10(6)12)9(11)7(2)13/h3-5,9H,1-2H3
InChIKeyYVCMWNPTXXOMRD-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-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-2-(2-fluoro-3-methylphenyl)-N-methylacetamide
CID 130992769
1-(2-amino-3-methylphenyl)-1-chloropropan-2-one
CID 130785658
1-chloro-1-(3-ethoxy-2-fluorophenyl)propan-2-one
CID 131595691
1-chloro-1-(2,6-dimethylphenyl)propan-2-one
CID 130894296
(E)-3-[2-(1-chloro-2-oxopropyl)-6-methylphenyl]prop-2-enoic acid
CID 134616979
1-[2,3-bis(difluoromethyl)phenyl]-1-chloropropan-2-one
CID 166640473
1-[2,3-bis(sulfanyl)phenyl]-1-chloropropan-2-one
CID 130936777
1-chloro-1-(2-chloro-6-methylphenyl)propan-2-one
CID 131029150
1-(2-bromo-3-methylsulfanylphenyl)-1-chloropropan-2-one
CID 130894308
1-[3-bromo-2-(trifluoromethyl)phenyl]-1-chloropropan-2-one
CID 118854849
2-[2-(1-chloro-2-oxopropyl)phenyl]acetic acid
CID 131474693
2-(2-fluoro-3-methylphenyl)-2-methoxyacetic acid
CID 130877921

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one?
The IUPAC name of 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one (CID 131010218) is 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one is CC(=O)C(Cl)c1cccc(C)c1F.
What is the InChIKey of 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one?
The InChIKey is YVCMWNPTXXOMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-6-4-3-5-8(10(6)12)9(11)7(2)13/h3-5,9H,1-2H3.
What are the key properties of 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one?
1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one has a molecular weight of 200.64 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-fluoro-3-methylphenyl)propan-2-one is sourced from PubChem (CID 131010218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).