4-fluoro-6-oxopyran-2-carboxylic acid

C6H3FO4 — CID 45084913

IUPAC4-fluoro-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(F)cc(=O)o1
InChIInChI=1S/C6H3FO4/c7-3-1-4(6(9)10)11-5(8)2-3/h1-2H,(H,9,10)
InChIKeyTVDHCTBVVVIUOR-UHFFFAOYSA-N
MW158.08 g/mol
LogP0.48
Rot. Bonds1

About 4-fluoro-6-oxopyran-2-carboxylic acid

4-fluoro-6-oxopyran-2-carboxylic acid (PubChem CID 45084913) has the molecular formula C6H3FO4 and a molecular weight of 158.08 g/mol. Its IUPAC name is 4-fluoro-6-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-oxopyran-2-carboxylic acid
PubChem CID45084913
Molecular FormulaC6H3FO4
Molecular Weight158.08 g/mol
Exact Mass158.00
IUPAC Name4-fluoro-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(F)cc(=O)o1
InChIInChI=1S/C6H3FO4/c7-3-1-4(6(9)10)11-5(8)2-3/h1-2H,(H,9,10)
InChIKeyTVDHCTBVVVIUOR-UHFFFAOYSA-N
XLogP0.48
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.08
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-6-oxopyran-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 4-fluoro-6-oxopyran-2-carboxylic acid?
The IUPAC name of 4-fluoro-6-oxopyran-2-carboxylic acid (CID 45084913) is 4-fluoro-6-oxopyran-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-oxopyran-2-carboxylic acid?
The canonical SMILES for 4-fluoro-6-oxopyran-2-carboxylic acid is O=C(O)c1cc(F)cc(=O)o1.
What is the InChIKey of 4-fluoro-6-oxopyran-2-carboxylic acid?
The InChIKey is TVDHCTBVVVIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FO4/c7-3-1-4(6(9)10)11-5(8)2-3/h1-2H,(H,9,10).
What are the key properties of 4-fluoro-6-oxopyran-2-carboxylic acid?
4-fluoro-6-oxopyran-2-carboxylic acid has a molecular weight of 158.08 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-oxopyran-2-carboxylic acid is sourced from PubChem (CID 45084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).