8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one

C15H10F2OS — CID 19736750

IUPAC8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one
SMILESO=C1c2cccc(F)c2SCC1c1ccc(F)cc1
InChIInChI=1S/C15H10F2OS/c16-10-6-4-9(5-7-10)12-8-19-15-11(14(12)18)2-1-3-13(15)17/h1-7,12H,8H2
InChIKeyNUGDUOKXOZEONG-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.04
Rot. Bonds1

About 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one

8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one (PubChem CID 19736750) has the molecular formula C15H10F2OS and a molecular weight of 276.31 g/mol. Its IUPAC name is 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one.

Molecular Properties

Compound Name8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one
PubChem CID19736750
Molecular FormulaC15H10F2OS
Molecular Weight276.31 g/mol
Exact Mass276.04
IUPAC Name8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one
SMILESO=C1c2cccc(F)c2SCC1c1ccc(F)cc1
InChIInChI=1S/C15H10F2OS/c16-10-6-4-9(5-7-10)12-8-19-15-11(14(12)18)2-1-3-13(15)17/h1-7,12H,8H2
InChIKeyNUGDUOKXOZEONG-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one?
The IUPAC name of 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one (CID 19736750) is 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one.
What is the SMILES notation for 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one?
The canonical SMILES for 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one is O=C1c2cccc(F)c2SCC1c1ccc(F)cc1.
What is the InChIKey of 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one?
The InChIKey is NUGDUOKXOZEONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2OS/c16-10-6-4-9(5-7-10)12-8-19-15-11(14(12)18)2-1-3-13(15)17/h1-7,12H,8H2.
What are the key properties of 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one?
8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one has a molecular weight of 276.31 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-fluorophenyl)-2,3-dihydrothiochromen-4-one is sourced from PubChem (CID 19736750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).