3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride

C5H7ClF3NO3 — CID 118798179

IUPAC3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(OC(F)(F)F)CNC1
InChIInChI=1S/C5H6F3NO3.ClH/c6-5(7,8)12-4(3(10)11)1-9-2-4;/h9H,1-2H2,(H,10,11);1H
InChIKeyLWUOKXPDCXDSNA-UHFFFAOYSA-N
MW221.56 g/mol
LogP0.37
Rot. Bonds2

About 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride

3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride (PubChem CID 118798179) has the molecular formula C5H7ClF3NO3 and a molecular weight of 221.56 g/mol. Its IUPAC name is 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride
PubChem CID118798179
Molecular FormulaC5H7ClF3NO3
Molecular Weight221.56 g/mol
Exact Mass221.01
IUPAC Name3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(OC(F)(F)F)CNC1
InChIInChI=1S/C5H6F3NO3.ClH/c6-5(7,8)12-4(3(10)11)1-9-2-4;/h9H,1-2H2,(H,10,11);1H
InChIKeyLWUOKXPDCXDSNA-UHFFFAOYSA-N
XLogP0.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.56
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride 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-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride (CID 118798179) is 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(OC(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride?
The InChIKey is LWUOKXPDCXDSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO3.ClH/c6-5(7,8)12-4(3(10)11)1-9-2-4;/h9H,1-2H2,(H,10,11);1H.
What are the key properties of 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride?
3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride has a molecular weight of 221.56 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)azetidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118798179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).