3-hydroxy-4-(trifluoromethyl)azetidin-2-one

C4H4F3NO2 — CID 73178511

IUPAC3-hydroxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1NC(C(F)(F)F)C1O
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10)
InChIKeyKILABZQAJCINSN-UHFFFAOYSA-N
MW155.07 g/mol
LogP-0.59
Rot. Bonds

About 3-hydroxy-4-(trifluoromethyl)azetidin-2-one

3-hydroxy-4-(trifluoromethyl)azetidin-2-one (PubChem CID 73178511) has the molecular formula C4H4F3NO2 and a molecular weight of 155.07 g/mol. Its IUPAC name is 3-hydroxy-4-(trifluoromethyl)azetidin-2-one.

Molecular Properties

Compound Name3-hydroxy-4-(trifluoromethyl)azetidin-2-one
PubChem CID73178511
Molecular FormulaC4H4F3NO2
Molecular Weight155.07 g/mol
Exact Mass155.02
IUPAC Name3-hydroxy-4-(trifluoromethyl)azetidin-2-one
SMILESO=C1NC(C(F)(F)F)C1O
InChIInChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10)
InChIKeyKILABZQAJCINSN-UHFFFAOYSA-N
XLogP-0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.07
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-hydroxy-4-(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-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The IUPAC name of 3-hydroxy-4-(trifluoromethyl)azetidin-2-one (CID 73178511) is 3-hydroxy-4-(trifluoromethyl)azetidin-2-one.
What is the SMILES notation for 3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The canonical SMILES for 3-hydroxy-4-(trifluoromethyl)azetidin-2-one is O=C1NC(C(F)(F)F)C1O.
What is the InChIKey of 3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
The InChIKey is KILABZQAJCINSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO2/c5-4(6,7)2-1(9)3(10)8-2/h1-2,9H,(H,8,10).
What are the key properties of 3-hydroxy-4-(trifluoromethyl)azetidin-2-one?
3-hydroxy-4-(trifluoromethyl)azetidin-2-one has a molecular weight of 155.07 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(trifluoromethyl)azetidin-2-one is sourced from PubChem (CID 73178511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).