4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid

C10H8F2O4 — CID 10059722

IUPAC4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
InChIKeyUAZYGYLREYEEJU-UHFFFAOYSA-N
MW230.17 g/mol
LogP0.98
Rot. Bonds4

About 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid

4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid (PubChem CID 10059722) has the molecular formula C10H8F2O4 and a molecular weight of 230.17 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid
PubChem CID10059722
Molecular FormulaC10H8F2O4
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Name4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16)
InChIKeyUAZYGYLREYEEJU-UHFFFAOYSA-N
XLogP0.98
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid (CID 10059722) is 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid is O=C(CC(O)C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The InChIKey is UAZYGYLREYEEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O4/c11-6-2-1-5(3-7(6)12)8(13)4-9(14)10(15)16/h1-3,9,14H,4H2,(H,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid?
4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid has a molecular weight of 230.17 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 10059722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).