3-methyl-3-(trifluoromethyl)azetidin-2-one

C5H6F3NO — CID 10888110

IUPAC3-methyl-3-(trifluoromethyl)azetidin-2-one
SMILESCC1(C(F)(F)F)CNC1=O
InChIInChI=1S/C5H6F3NO/c1-4(5(6,7)8)2-9-3(4)10/h2H2,1H3,(H,9,10)
InChIKeyOHUIAZFZCLRWFT-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.68
Rot. Bonds

About 3-methyl-3-(trifluoromethyl)azetidin-2-one

3-methyl-3-(trifluoromethyl)azetidin-2-one (PubChem CID 10888110) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethyl)azetidin-2-one
PubChem CID10888110
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name3-methyl-3-(trifluoromethyl)azetidin-2-one
SMILESCC1(C(F)(F)F)CNC1=O
InChIInChI=1S/C5H6F3NO/c1-4(5(6,7)8)2-9-3(4)10/h2H2,1H3,(H,9,10)
InChIKeyOHUIAZFZCLRWFT-UHFFFAOYSA-N
XLogP0.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3-(trifluoromethyl)azetidin-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 3-methyl-3-(trifluoromethyl)azetidin-2-one?
The IUPAC name of 3-methyl-3-(trifluoromethyl)azetidin-2-one (CID 10888110) is 3-methyl-3-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for 3-methyl-3-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for 3-methyl-3-(trifluoromethyl)azetidin-2-one is CC1(C(F)(F)F)CNC1=O.
What is the InChIKey of 3-methyl-3-(trifluoromethyl)azetidin-2-one?
The InChIKey is OHUIAZFZCLRWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c1-4(5(6,7)8)2-9-3(4)10/h2H2,1H3,(H,9,10).
What are the key properties of 3-methyl-3-(trifluoromethyl)azetidin-2-one?
3-methyl-3-(trifluoromethyl)azetidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 10888110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).