3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid

C6H8F3NO2 — CID 130680367

IUPAC3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(CC(F)(F)F)CNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)1-5(4(11)12)2-10-3-5/h10H,1-3H2,(H,11,12)
InChIKeyBVXFUNPVSOKMMQ-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.61
Rot. Bonds2

About 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid

3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid (PubChem CID 130680367) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid
PubChem CID130680367
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1(CC(F)(F)F)CNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)1-5(4(11)12)2-10-3-5/h10H,1-3H2,(H,11,12)
InChIKeyBVXFUNPVSOKMMQ-UHFFFAOYSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(Fluoromethyl)azetidine-3-carboxylic acid
CID 68032229
3-(Trifluoromethyl)azetidine-3-carboxylic acid
CID 105433991
3-(Trifluoromethyl)azetidine-3-carboxylic acid hydrochloride
CID 118798165
3-(1-Fluoroethyl)azetidine-3-carboxylic acid
CID 105429000
3-(Difluoromethyl)azetidine-3-carboxylic acid
CID 105429493
3-(2-Fluoropropan-2-yl)azetidine-3-carboxylic acid
CID 105431553
3-(1,1-Difluoroethyl)azetidine-3-carboxylic acid
CID 105432551
3-(2,2-Difluoroethyl)azetidine-3-carboxylic acid
CID 115012999
3-(2,2-Difluoropropyl)azetidine-3-carboxylic acid
CID 115015301
3-(2,2-Difluoroethyl)-1-methylazetidine-3-carboxylic acid
CID 115015302
2-(Trifluoromethyl)azetidine-3-carboxylic acid
CID 119054910
(2S,3R)-2-(trifluoromethyl)azetidine-3-carboxylic acid
CID 129433450

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid (CID 130680367) is 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid is O=C(O)C1(CC(F)(F)F)CNC1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid?
The InChIKey is BVXFUNPVSOKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)1-5(4(11)12)2-10-3-5/h10H,1-3H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid?
3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 130680367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).