4-(4-fluorophenyl)sulfanylazetidin-2-one

C9H8FNOS — CID 54346722

IUPAC4-(4-fluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)cc2)N1
InChIInChI=1S/C9H8FNOS/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)
InChIKeyUCUOSRZNFLEXMT-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.76
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanylazetidin-2-one

4-(4-fluorophenyl)sulfanylazetidin-2-one (PubChem CID 54346722) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanylazetidin-2-one
PubChem CID54346722
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name4-(4-fluorophenyl)sulfanylazetidin-2-one
SMILESO=C1CC(Sc2ccc(F)cc2)N1
InChIInChI=1S/C9H8FNOS/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12)
InChIKeyUCUOSRZNFLEXMT-UHFFFAOYSA-N
XLogP1.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanylazetidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)sulfanylazetidin-2-one (CID 54346722) is 4-(4-fluorophenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)sulfanylazetidin-2-one is O=C1CC(Sc2ccc(F)cc2)N1.
What is the InChIKey of 4-(4-fluorophenyl)sulfanylazetidin-2-one?
The InChIKey is UCUOSRZNFLEXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c10-6-1-3-7(4-2-6)13-9-5-8(12)11-9/h1-4,9H,5H2,(H,11,12).
What are the key properties of 4-(4-fluorophenyl)sulfanylazetidin-2-one?
4-(4-fluorophenyl)sulfanylazetidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 54346722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).