2-(4-fluorophenyl)-2-hydroxybutanedioic acid

C10H9FO5 — CID 150762531

IUPAC2-(4-fluorophenyl)-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H9FO5/c11-7-3-1-6(2-4-7)10(16,9(14)15)5-8(12)13/h1-4,16H,5H2,(H,12,13)(H,14,15)
InChIKeyJYDDSLUTEMCFDJ-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.57
Rot. Bonds4

About 2-(4-fluorophenyl)-2-hydroxybutanedioic acid

2-(4-fluorophenyl)-2-hydroxybutanedioic acid (PubChem CID 150762531) has the molecular formula C10H9FO5 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-hydroxybutanedioic acid
PubChem CID150762531
Molecular FormulaC10H9FO5
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-(4-fluorophenyl)-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C10H9FO5/c11-7-3-1-6(2-4-7)10(16,9(14)15)5-8(12)13/h1-4,16H,5H2,(H,12,13)(H,14,15)
InChIKeyJYDDSLUTEMCFDJ-UHFFFAOYSA-N
XLogP0.57
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-hydroxybutanedioic acid?
The IUPAC name of 2-(4-fluorophenyl)-2-hydroxybutanedioic acid (CID 150762531) is 2-(4-fluorophenyl)-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-2-hydroxybutanedioic acid?
The canonical SMILES for 2-(4-fluorophenyl)-2-hydroxybutanedioic acid is O=C(O)CC(O)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-hydroxybutanedioic acid?
The InChIKey is JYDDSLUTEMCFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO5/c11-7-3-1-6(2-4-7)10(16,9(14)15)5-8(12)13/h1-4,16H,5H2,(H,12,13)(H,14,15).
What are the key properties of 2-(4-fluorophenyl)-2-hydroxybutanedioic acid?
2-(4-fluorophenyl)-2-hydroxybutanedioic acid has a molecular weight of 228.17 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-hydroxybutanedioic acid is sourced from PubChem (CID 150762531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).