1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one

C11H12FNOS — CID 14947675

IUPAC1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one
SMILESCCN1CC(F)(Sc2ccccc2)C1=O
InChIInChI=1S/C11H12FNOS/c1-2-13-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVVPSGBQZOWFGIW-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.31
Rot. Bonds3

About 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one

1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one (PubChem CID 14947675) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one
PubChem CID14947675
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC Name1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one
SMILESCCN1CC(F)(Sc2ccccc2)C1=O
InChIInChI=1S/C11H12FNOS/c1-2-13-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyVVPSGBQZOWFGIW-UHFFFAOYSA-N
XLogP2.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluorophenyl)sulfanylazetidin-2-one
CID 54346722
4-(2-Fluorophenyl)sulfanylazetidin-2-one
CID 118526378
4-(3-Fluorophenyl)sulfanylazetidin-2-one
CID 118526537
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533
N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
CID 15152841
2,2,2-Trifluoro-1-(5-fluoro-4-(phenylthio)-3,6-dihydropyridin-1(2H)-yl)ethan-1-one
CID 134827888
Acetamide, N,N-diethyl-2-(phenylthio)-
CID 846787
Phenylthiobeta-lactam
CID 85551587
1-(Azetidin-1-yl)-2-[(4-fluorophenyl)sulfanyl]ethan-1-one
CID 25638844
2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
CID 42890475

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one?
The IUPAC name of 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one (CID 14947675) is 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one is CCN1CC(F)(Sc2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one?
The InChIKey is VVPSGBQZOWFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-2-13-8-11(12,10(13)14)15-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one?
1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 14947675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).