4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid

C11H9FO4 — CID 119054767

IUPAC4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
SMILESO=C(O)C1C(=O)OCC1c1cccc(F)c1
InChIInChI=1S/C11H9FO4/c12-7-3-1-2-6(4-7)8-5-16-11(15)9(8)10(13)14/h1-4,8-9H,5H2,(H,13,14)
InChIKeyVCXNTKDQNBJBOQ-UHFFFAOYSA-N
MW224.19 g/mol
LogP1.17
Rot. Bonds2

About 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid

4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid (PubChem CID 119054767) has the molecular formula C11H9FO4 and a molecular weight of 224.19 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
PubChem CID119054767
Molecular FormulaC11H9FO4
Molecular Weight224.19 g/mol
Exact Mass224.05
IUPAC Name4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid
SMILESO=C(O)C1C(=O)OCC1c1cccc(F)c1
InChIInChI=1S/C11H9FO4/c12-7-3-1-2-6(4-7)8-5-16-11(15)9(8)10(13)14/h1-4,8-9H,5H2,(H,13,14)
InChIKeyVCXNTKDQNBJBOQ-UHFFFAOYSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic 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-fluorophenyl)-2-oxooxolane-3-carboxylic acid?
The IUPAC name of 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid (CID 119054767) is 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid is O=C(O)C1C(=O)OCC1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid?
The InChIKey is VCXNTKDQNBJBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO4/c12-7-3-1-2-6(4-7)8-5-16-11(15)9(8)10(13)14/h1-4,8-9H,5H2,(H,13,14).
What are the key properties of 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid?
4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid has a molecular weight of 224.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-oxooxolane-3-carboxylic acid is sourced from PubChem (CID 119054767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).