4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one

C15H7F3O2S — CID 3013126

IUPAC4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one
SMILESO=c1cc(Sc2ccc(F)cc2F)c2cc(F)ccc2o1
InChIInChI=1S/C15H7F3O2S/c16-8-1-3-12-10(5-8)14(7-15(19)20-12)21-13-4-2-9(17)6-11(13)18/h1-7H
InChIKeySNMKNWVNQFBLSQ-UHFFFAOYSA-N
MW308.28 g/mol
LogP4.36
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one

4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one (PubChem CID 3013126) has the molecular formula C15H7F3O2S and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one
PubChem CID3013126
Molecular FormulaC15H7F3O2S
Molecular Weight308.28 g/mol
Exact Mass308.01
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one
SMILESO=c1cc(Sc2ccc(F)cc2F)c2cc(F)ccc2o1
InChIInChI=1S/C15H7F3O2S/c16-8-1-3-12-10(5-8)14(7-15(19)20-12)21-13-4-2-9(17)6-11(13)18/h1-7H
InChIKeySNMKNWVNQFBLSQ-UHFFFAOYSA-N
XLogP4.36
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 54.36
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 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one (CID 3013126) is 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one is O=c1cc(Sc2ccc(F)cc2F)c2cc(F)ccc2o1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one?
The InChIKey is SNMKNWVNQFBLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O2S/c16-8-1-3-12-10(5-8)14(7-15(19)20-12)21-13-4-2-9(17)6-11(13)18/h1-7H.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one?
4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one has a molecular weight of 308.28 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-6-fluorochromen-2-one is sourced from PubChem (CID 3013126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).