6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one

C9H6F2O3S — CID 43167472

IUPAC6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESO=C1CCS(=O)(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C9H6F2O3S/c10-6-3-5-8(12)1-2-15(13,14)9(5)4-7(6)11/h3-4H,1-2H2
InChIKeyZVYNFAGJGYRWSW-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.32
Rot. Bonds

About 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one

6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one (PubChem CID 43167472) has the molecular formula C9H6F2O3S and a molecular weight of 232.21 g/mol. Its IUPAC name is 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one
PubChem CID43167472
Molecular FormulaC9H6F2O3S
Molecular Weight232.21 g/mol
Exact Mass232.00
IUPAC Name6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one
SMILESO=C1CCS(=O)(=O)c2cc(F)c(F)cc21
InChIInChI=1S/C9H6F2O3S/c10-6-3-5-8(12)1-2-15(13,14)9(5)4-7(6)11/h3-4H,1-2H2
InChIKeyZVYNFAGJGYRWSW-UHFFFAOYSA-N
XLogP1.32
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one (CID 43167472) is 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one is O=C1CCS(=O)(=O)c2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one?
The InChIKey is ZVYNFAGJGYRWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O3S/c10-6-3-5-8(12)1-2-15(13,14)9(5)4-7(6)11/h3-4H,1-2H2.
What are the key properties of 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one?
6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one has a molecular weight of 232.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,1-dioxo-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 43167472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).