6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one

C10H8F2OS — CID 43536467

IUPAC6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2cc(F)cc(F)c2S1
InChIInChI=1S/C10H8F2OS/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3
InChIKeyQNSJZSCJJNYUSM-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.03
Rot. Bonds

About 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one

6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one (PubChem CID 43536467) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one
PubChem CID43536467
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one
SMILESCC1CC(=O)c2cc(F)cc(F)c2S1
InChIInChI=1S/C10H8F2OS/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3
InChIKeyQNSJZSCJJNYUSM-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one?
The IUPAC name of 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one (CID 43536467) is 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one is CC1CC(=O)c2cc(F)cc(F)c2S1.
What is the InChIKey of 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one?
The InChIKey is QNSJZSCJJNYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h3-5H,2H2,1H3.
What are the key properties of 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one?
6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one has a molecular weight of 214.24 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-2-methyl-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 43536467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).