2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid

C8H4ClFO3 — CID 70204169

IUPAC2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C8H4ClFO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H,(H,12,13)
InChIKeyUWDUDKCVPHMIOM-UHFFFAOYSA-N
MW202.57 g/mol
LogP1.75
Rot. Bonds2

About 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid

2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid (PubChem CID 70204169) has the molecular formula C8H4ClFO3 and a molecular weight of 202.57 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
PubChem CID70204169
Molecular FormulaC8H4ClFO3
Molecular Weight202.57 g/mol
Exact Mass201.98
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C8H4ClFO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H,(H,12,13)
InChIKeyUWDUDKCVPHMIOM-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.57
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid 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-(2-fluoro-4-hydroxyphenyl)-2-oxoacetic acid
CID 83391232
2-(2,5-dichloro-3-fluorophenyl)-2-oxoacetic acid
CID 117345899
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
2-(2-fluoro-4-methylsulfanylphenyl)-2-oxoacetic acid
CID 117305144
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-[5-chloro-2-(difluoromethyl)phenyl]-2-oxoacetic acid
CID 117341242
2-(5-chloro-2-methylsulfanylphenyl)-2-oxoacetic acid
CID 117333337
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid (CID 70204169) is 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid?
The InChIKey is UWDUDKCVPHMIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFO3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H,(H,12,13).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid?
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid has a molecular weight of 202.57 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid is sourced from PubChem (CID 70204169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).