7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one

C10H9FO2S — CID 102972282

IUPAC7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2ccc(F)cc2S1=O
InChIInChI=1S/C10H9FO2S/c1-6-4-9(12)8-3-2-7(11)5-10(8)14(6)13/h2-3,5-6H,4H2,1H3
InChIKeyYQYVNPYETVTLKF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.91
Rot. Bonds

About 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one

7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one (PubChem CID 102972282) has the molecular formula C10H9FO2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
PubChem CID102972282
Molecular FormulaC10H9FO2S
Molecular Weight212.24 g/mol
Exact Mass212.03
IUPAC Name7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2ccc(F)cc2S1=O
InChIInChI=1S/C10H9FO2S/c1-6-4-9(12)8-3-2-7(11)5-10(8)14(6)13/h2-3,5-6H,4H2,1H3
InChIKeyYQYVNPYETVTLKF-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-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

Related Compounds

6,7-difluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
CID 61288706
7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 102972243
2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
6-fluoro-3-methyl-1-oxo-2,3-dihydrothiochromen-4-one
CID 61286450
(1S,2R)-6-fluoro-1-oxo-2-phenyl-1-benzothiophen-3-imine
CID 11895341
2-bromo-6-fluoro-2,3-dihydroinden-1-one
CID 11031642
(2R)-2-bromo-5-fluoro-2,3-dihydroinden-1-one
CID 86313607
8-fluoro-3-methyl-1-oxo-3,5-dihydro-2H-1λ4,5-benzothiazepin-4-one
CID 105357177
4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 10975535
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
CID 97050179

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one (CID 102972282) is 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one is CC1CC(=O)c2ccc(F)cc2S1=O.
What is the InChIKey of 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
The InChIKey is YQYVNPYETVTLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO2S/c1-6-4-9(12)8-3-2-7(11)5-10(8)14(6)13/h2-3,5-6H,4H2,1H3.
What are the key properties of 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one?
7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one has a molecular weight of 212.24 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 102972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).