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

C10H9FO3S — CID 102972243

IUPAC7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C10H9FO3S/c1-6-4-9(12)8-3-2-7(11)5-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3
InChIKeyUDKDLAFAMAIGHG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.57
Rot. Bonds

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

7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (PubChem CID 102972243) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
PubChem CID102972243
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2ccc(F)cc2S1(=O)=O
InChIInChI=1S/C10H9FO3S/c1-6-4-9(12)8-3-2-7(11)5-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3
InChIKeyUDKDLAFAMAIGHG-UHFFFAOYSA-N
XLogP1.57
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-6-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 6925766
7-fluoro-2-methyl-1-oxo-2,3-dihydrothiochromen-4-one
CID 102972282
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138
8-chloro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one
CID 43536475
2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
6-fluoro-1,1-dioxo-1,2-benzothiazol-3-one
CID 23331601
6-fluoro-2-methyl-1,1-dioxo-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539052
1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one
CID 155432049
(6S)-6-methyl-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonyl chloride
CID 10380957
(6S)-6-methyl-4,7,7-trioxo-5,6-dihydrothieno[2,3-b]thiopyran-2-sulfonamide
CID 71623659
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-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one (CID 102972243) is 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is CC1CC(=O)c2ccc(F)cc2S1(=O)=O.
What is the InChIKey of 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The InChIKey is UDKDLAFAMAIGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c1-6-4-9(12)8-3-2-7(11)5-10(8)15(6,13)14/h2-3,5-6H,4H2,1H3.
What are the key properties of 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one?
7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one has a molecular weight of 228.24 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1,1-dioxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 102972243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).