4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid

C10H9FO4 — CID 18351996

IUPAC4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChIKeySFWCQBYQQBNAPI-UHFFFAOYSA-N
MW212.18 g/mol
LogP0.84
Rot. Bonds4

About 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid

4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid (PubChem CID 18351996) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid
PubChem CID18351996
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid
SMILESO=C(CC(O)C(=O)O)c1cccc(F)c1
InChIInChI=1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15)
InChIKeySFWCQBYQQBNAPI-UHFFFAOYSA-N
XLogP0.84
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Benzoylpropionic acid
CID 72871
3-(4-Fluorobenzoyl)propionic acid
CID 101359
4,7-Dioxo-7-phenylheptanoic acid
CID 80634
2,4-Dioxo-4-phenylbutanoic acid
CID 493418
4-[3-(3-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric acid
CID 483759
4-[3-(4-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric acid
CID 483760
2-Hydroxy-4-oxo-4-phenylbutanoic acid
CID 516699
4-[3-(2-Fluoro-benzyl)-phenyl]-2,4-dioxo-butyric acid
CID 483758
4-(3-Chloro-phenyl)-2-hydroxy-4-oxo-butyric acid
CID 18351988
4-(2-Fluoro-phenyl)-2,4-dioxo-butyric acid
CID 23090222
4-(3,4-Difluorophenyl)-4-oxobutanoic acid
CID 2758337
2-(4-Fluorophenyl)-2-oxoacetic Acid
CID 579440

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid (CID 18351996) is 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid is O=C(CC(O)C(=O)O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid?
The InChIKey is SFWCQBYQQBNAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-7-3-1-2-6(4-7)8(12)5-9(13)10(14)15/h1-4,9,13H,5H2,(H,14,15).
What are the key properties of 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid?
4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid has a molecular weight of 212.18 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-hydroxy-4-oxobutanoic acid is sourced from PubChem (CID 18351996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).