4-acetyl-6-fluorochromen-2-one

C11H7FO3 — CID 53386591

IUPAC4-acetyl-6-fluorochromen-2-one
SMILESCC(=O)c1cc(=O)oc2ccc(F)cc12
InChIInChI=1S/C11H7FO3/c1-6(13)8-5-11(14)15-10-3-2-7(12)4-9(8)10/h2-5H,1H3
InChIKeyRKOWFDXGASJXHU-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.13
Rot. Bonds1

About 4-acetyl-6-fluorochromen-2-one

4-acetyl-6-fluorochromen-2-one (PubChem CID 53386591) has the molecular formula C11H7FO3 and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-acetyl-6-fluorochromen-2-one.

Molecular Properties

Compound Name4-acetyl-6-fluorochromen-2-one
PubChem CID53386591
Molecular FormulaC11H7FO3
Molecular Weight206.17 g/mol
Exact Mass206.04
IUPAC Name4-acetyl-6-fluorochromen-2-one
SMILESCC(=O)c1cc(=O)oc2ccc(F)cc12
InChIInChI=1S/C11H7FO3/c1-6(13)8-5-11(14)15-10-3-2-7(12)4-9(8)10/h2-5H,1H3
InChIKeyRKOWFDXGASJXHU-UHFFFAOYSA-N
XLogP2.13
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-acetyl-6-fluorochromen-2-one 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-acetyl-6-fluorochromen-2-one?
The IUPAC name of 4-acetyl-6-fluorochromen-2-one (CID 53386591) is 4-acetyl-6-fluorochromen-2-one.
What is the SMILES notation for 4-acetyl-6-fluorochromen-2-one?
The canonical SMILES for 4-acetyl-6-fluorochromen-2-one is CC(=O)c1cc(=O)oc2ccc(F)cc12.
What is the InChIKey of 4-acetyl-6-fluorochromen-2-one?
The InChIKey is RKOWFDXGASJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3/c1-6(13)8-5-11(14)15-10-3-2-7(12)4-9(8)10/h2-5H,1H3.
What are the key properties of 4-acetyl-6-fluorochromen-2-one?
4-acetyl-6-fluorochromen-2-one has a molecular weight of 206.17 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-fluorochromen-2-one is sourced from PubChem (CID 53386591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).