2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one

C21H13FOS — CID 132512444

IUPAC2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one
SMILESO=C1C(Sc2cccc(F)c2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H13FOS/c22-15-9-6-10-16(13-15)24-21-19(14-7-2-1-3-8-14)17-11-4-5-12-18(17)20(21)23/h1-13H
InChIKeyIDEAIAMYNMURJV-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.57
Rot. Bonds3

About 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one

2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one (PubChem CID 132512444) has the molecular formula C21H13FOS and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one
PubChem CID132512444
Molecular FormulaC21H13FOS
Molecular Weight332.40 g/mol
Exact Mass332.07
IUPAC Name2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one
SMILESO=C1C(Sc2cccc(F)c2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H13FOS/c22-15-9-6-10-16(13-15)24-21-19(14-7-2-1-3-8-14)17-11-4-5-12-18(17)20(21)23/h1-13H
InChIKeyIDEAIAMYNMURJV-UHFFFAOYSA-N
XLogP5.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one (CID 132512444) is 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one is O=C1C(Sc2cccc(F)c2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one?
The InChIKey is IDEAIAMYNMURJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FOS/c22-15-9-6-10-16(13-15)24-21-19(14-7-2-1-3-8-14)17-11-4-5-12-18(17)20(21)23/h1-13H.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one?
2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one has a molecular weight of 332.40 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-3-phenylinden-1-one is sourced from PubChem (CID 132512444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).