3-fluoro-6-thiophen-2-ylchromen-4-one

C13H7FO2S — CID 146169508

IUPAC3-fluoro-6-thiophen-2-ylchromen-4-one
SMILESO=c1c(F)coc2ccc(-c3cccs3)cc12
InChIInChI=1S/C13H7FO2S/c14-10-7-16-11-4-3-8(6-9(11)13(10)15)12-2-1-5-17-12/h1-7H
InChIKeyFBMQVFBQJQWQPF-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.66
Rot. Bonds1

About 3-fluoro-6-thiophen-2-ylchromen-4-one

3-fluoro-6-thiophen-2-ylchromen-4-one (PubChem CID 146169508) has the molecular formula C13H7FO2S and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-fluoro-6-thiophen-2-ylchromen-4-one.

Molecular Properties

Compound Name3-fluoro-6-thiophen-2-ylchromen-4-one
PubChem CID146169508
Molecular FormulaC13H7FO2S
Molecular Weight246.26 g/mol
Exact Mass246.02
IUPAC Name3-fluoro-6-thiophen-2-ylchromen-4-one
SMILESO=c1c(F)coc2ccc(-c3cccs3)cc12
InChIInChI=1S/C13H7FO2S/c14-10-7-16-11-4-3-8(6-9(11)13(10)15)12-2-1-5-17-12/h1-7H
InChIKeyFBMQVFBQJQWQPF-UHFFFAOYSA-N
XLogP3.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-6-thiophen-2-ylchromen-4-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 3-fluoro-6-thiophen-2-ylchromen-4-one?
The IUPAC name of 3-fluoro-6-thiophen-2-ylchromen-4-one (CID 146169508) is 3-fluoro-6-thiophen-2-ylchromen-4-one.
What is the SMILES notation for 3-fluoro-6-thiophen-2-ylchromen-4-one?
The canonical SMILES for 3-fluoro-6-thiophen-2-ylchromen-4-one is O=c1c(F)coc2ccc(-c3cccs3)cc12.
What is the InChIKey of 3-fluoro-6-thiophen-2-ylchromen-4-one?
The InChIKey is FBMQVFBQJQWQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FO2S/c14-10-7-16-11-4-3-8(6-9(11)13(10)15)12-2-1-5-17-12/h1-7H.
What are the key properties of 3-fluoro-6-thiophen-2-ylchromen-4-one?
3-fluoro-6-thiophen-2-ylchromen-4-one has a molecular weight of 246.26 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-thiophen-2-ylchromen-4-one is sourced from PubChem (CID 146169508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).