2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid

C12H11FO4 — CID 22500949

IUPAC2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(Cc2cccc(F)c2)(C(=O)O)O1
InChIInChI=1S/C12H11FO4/c13-9-3-1-2-8(6-9)7-12(11(15)16)5-4-10(14)17-12/h1-3,6H,4-5,7H2,(H,15,16)
InChIKeyRHMHBKHGSYZXIB-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.53
Rot. Bonds3

About 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid

2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid (PubChem CID 22500949) has the molecular formula C12H11FO4 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid
PubChem CID22500949
Molecular FormulaC12H11FO4
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid
SMILESO=C1CCC(Cc2cccc(F)c2)(C(=O)O)O1
InChIInChI=1S/C12H11FO4/c13-9-3-1-2-8(6-9)7-12(11(15)16)5-4-10(14)17-12/h1-3,6H,4-5,7H2,(H,15,16)
InChIKeyRHMHBKHGSYZXIB-UHFFFAOYSA-N
XLogP1.53
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-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 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid (CID 22500949) is 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid is O=C1CCC(Cc2cccc(F)c2)(C(=O)O)O1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid?
The InChIKey is RHMHBKHGSYZXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO4/c13-9-3-1-2-8(6-9)7-12(11(15)16)5-4-10(14)17-12/h1-3,6H,4-5,7H2,(H,15,16).
What are the key properties of 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid?
2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid has a molecular weight of 238.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-5-oxooxolane-2-carboxylic acid is sourced from PubChem (CID 22500949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).