3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one

C12H14FNOS — CID 14947676

IUPAC3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1CC(F)(Sc2ccccc2)C1=O
InChIInChI=1S/C12H14FNOS/c1-9(2)14-8-12(13,11(14)15)16-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyWAXNZDALQVVRJT-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.70
Rot. Bonds3

About 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one

3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one (PubChem CID 14947676) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one
PubChem CID14947676
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one
SMILESCC(C)N1CC(F)(Sc2ccccc2)C1=O
InChIInChI=1S/C12H14FNOS/c1-9(2)14-8-12(13,11(14)15)16-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKeyWAXNZDALQVVRJT-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(Azetidin-1-yl)-2-[(4-fluorophenyl)sulfanyl]ethan-1-one
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CID 42890475
3-(4-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
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2-cyano-N,N-diethyl-2-fluoro-2-phenylsulfanylacetamide
CID 11402880
2-Azetidinone, 1-butyl-3-fluoro-3-(phenylthio)-
CID 11807187
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one?
The IUPAC name of 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one (CID 14947676) is 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one.
What is the SMILES notation for 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one?
The canonical SMILES for 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one is CC(C)N1CC(F)(Sc2ccccc2)C1=O.
What is the InChIKey of 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one?
The InChIKey is WAXNZDALQVVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-9(2)14-8-12(13,11(14)15)16-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one?
3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-phenylsulfanyl-1-propan-2-ylazetidin-2-one is sourced from PubChem (CID 14947676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).