2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid

C10H8ClFO4 — CID 18444833

IUPAC2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
SMILESCCOc1ccc(Cl)c(C(=O)C(=O)O)c1F
InChIInChI=1S/C10H8ClFO4/c1-2-16-6-4-3-5(11)7(8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyMMEVGBQVHWJNFH-UHFFFAOYSA-N
MW246.62 g/mol
LogP2.15
Rot. Bonds4

About 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid

2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid (PubChem CID 18444833) has the molecular formula C10H8ClFO4 and a molecular weight of 246.62 g/mol. Its IUPAC name is 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
PubChem CID18444833
Molecular FormulaC10H8ClFO4
Molecular Weight246.62 g/mol
Exact Mass246.01
IUPAC Name2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid
SMILESCCOc1ccc(Cl)c(C(=O)C(=O)O)c1F
InChIInChI=1S/C10H8ClFO4/c1-2-16-6-4-3-5(11)7(8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15)
InChIKeyMMEVGBQVHWJNFH-UHFFFAOYSA-N
XLogP2.15
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-chloro-3-ethoxy-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-(4-ethoxy-2,3-difluorophenyl)-2-oxoacetic acid
CID 117331897
1-chloro-4-ethoxy-3-fluoro-2-iodobenzene
CID 164894138
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
ethyl 2-(6-bromo-3-ethoxy-2-fluorophenyl)-2-oxoacetate
CID 171368276
1-[6-chloro-2-(difluoromethyl)-3-ethoxyphenyl]ethanone
CID 171002747
1-(2,3-dichloro-6-ethoxyphenyl)ethanone
CID 171007787
2-[6-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]-2-oxoacetic acid
CID 117458185
3-chloro-5-ethoxy-4-fluorobenzoic acid
CID 164895505
(E)-3-(4-ethoxy-2,3-difluorophenyl)prop-2-enoic acid
CID 46737624
2-(2-chloro-6-methoxyphenyl)-2-oxoacetic acid
CID 117305827
6-chloro-2-fluoro-3-(trifluoromethoxy)benzoic acid
CID 10171499
3-chloro-6-ethoxy-N-ethyl-2-methylbenzamide
CID 174825754

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid?
The IUPAC name of 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid (CID 18444833) is 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid is CCOc1ccc(Cl)c(C(=O)C(=O)O)c1F.
What is the InChIKey of 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid?
The InChIKey is MMEVGBQVHWJNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO4/c1-2-16-6-4-3-5(11)7(8(6)12)9(13)10(14)15/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid?
2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid has a molecular weight of 246.62 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethoxy-2-fluorophenyl)-2-oxoacetic acid is sourced from PubChem (CID 18444833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).