6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one

C15H8F2O2S — CID 3013134

IUPAC6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one
SMILESO=c1cc(Sc2ccccc2F)c2cc(F)ccc2o1
InChIInChI=1S/C15H8F2O2S/c16-9-5-6-12-10(7-9)14(8-15(18)19-12)20-13-4-2-1-3-11(13)17/h1-8H
InChIKeyCSPUJEOGSGSDQR-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.22
Rot. Bonds2

About 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one

6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one (PubChem CID 3013134) has the molecular formula C15H8F2O2S and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one.

Molecular Properties

Compound Name6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one
PubChem CID3013134
Molecular FormulaC15H8F2O2S
Molecular Weight290.29 g/mol
Exact Mass290.02
IUPAC Name6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one
SMILESO=c1cc(Sc2ccccc2F)c2cc(F)ccc2o1
InChIInChI=1S/C15H8F2O2S/c16-9-5-6-12-10(7-9)14(8-15(18)19-12)20-13-4-2-1-3-11(13)17/h1-8H
InChIKeyCSPUJEOGSGSDQR-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one?
The IUPAC name of 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one (CID 3013134) is 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one.
What is the SMILES notation for 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one?
The canonical SMILES for 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one is O=c1cc(Sc2ccccc2F)c2cc(F)ccc2o1.
What is the InChIKey of 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one?
The InChIKey is CSPUJEOGSGSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O2S/c16-9-5-6-12-10(7-9)14(8-15(18)19-12)20-13-4-2-1-3-11(13)17/h1-8H.
What are the key properties of 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one?
6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one has a molecular weight of 290.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(2-fluorophenyl)sulfanylchromen-2-one is sourced from PubChem (CID 3013134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).