4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one

C10H8F3NOS — CID 118526787

IUPAC4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
SMILESO=C1CC(Sc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)6-2-1-3-7(4-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15)
InChIKeyLFMJYFUTCYRNIR-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.64
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one

4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one (PubChem CID 118526787) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
PubChem CID118526787
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one
SMILESO=C1CC(Sc2cccc(C(F)(F)F)c2)N1
InChIInChI=1S/C10H8F3NOS/c11-10(12,13)6-2-1-3-7(4-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15)
InChIKeyLFMJYFUTCYRNIR-UHFFFAOYSA-N
XLogP2.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one (CID 118526787) is 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one is O=C1CC(Sc2cccc(C(F)(F)F)c2)N1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
The InChIKey is LFMJYFUTCYRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c11-10(12,13)6-2-1-3-7(4-6)16-9-5-8(15)14-9/h1-4,9H,5H2,(H,14,15).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one?
4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one has a molecular weight of 247.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]sulfanylazetidin-2-one is sourced from PubChem (CID 118526787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).