(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid

C10H7FO4 — CID 10130516

IUPAC(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)Oc2ccc(F)cc21
InChIInChI=1S/C10H7FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m0/s1
InChIKeyBWXXHZKFLLLJQP-VIFPVBQESA-N
MW210.16 g/mol
LogP1.24
Rot. Bonds1

About (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid

(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid (PubChem CID 10130516) has the molecular formula C10H7FO4 and a molecular weight of 210.16 g/mol. Its IUPAC name is (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
PubChem CID10130516
Molecular FormulaC10H7FO4
Molecular Weight210.16 g/mol
Exact Mass210.03
IUPAC Name(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
SMILESO=C1C[C@@H](C(=O)O)Oc2ccc(F)cc21
InChIInChI=1S/C10H7FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m0/s1
InChIKeyBWXXHZKFLLLJQP-VIFPVBQESA-N
XLogP1.24
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-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 (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The IUPAC name of (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid (CID 10130516) is (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid.
What is the SMILES notation for (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The canonical SMILES for (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid is O=C1C[C@@H](C(=O)O)Oc2ccc(F)cc21.
What is the InChIKey of (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
The InChIKey is BWXXHZKFLLLJQP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-3,9H,4H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid?
(2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid has a molecular weight of 210.16 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-4-oxo-2,3-dihydrochromene-2-carboxylic acid is sourced from PubChem (CID 10130516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).