2-(trifluoromethyl)azetidine-3-carboxylic acid

C5H6F3NO2 — CID 119054910

IUPAC2-(trifluoromethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-2(1-9-3)4(10)11/h2-3,9H,1H2,(H,10,11)
InChIKeyOJDAMECFPSMRDF-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.22
Rot. Bonds1

About 2-(trifluoromethyl)azetidine-3-carboxylic acid

2-(trifluoromethyl)azetidine-3-carboxylic acid (PubChem CID 119054910) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)azetidine-3-carboxylic acid
PubChem CID119054910
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name2-(trifluoromethyl)azetidine-3-carboxylic acid
SMILESO=C(O)C1CNC1C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3-2(1-9-3)4(10)11/h2-3,9H,1H2,(H,10,11)
InChIKeyOJDAMECFPSMRDF-UHFFFAOYSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)azetidine-3-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)azetidine-3-carboxylic acid (CID 119054910) is 2-(trifluoromethyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)azetidine-3-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)azetidine-3-carboxylic acid is O=C(O)C1CNC1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)azetidine-3-carboxylic acid?
The InChIKey is OJDAMECFPSMRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3-2(1-9-3)4(10)11/h2-3,9H,1H2,(H,10,11).
What are the key properties of 2-(trifluoromethyl)azetidine-3-carboxylic acid?
2-(trifluoromethyl)azetidine-3-carboxylic acid has a molecular weight of 169.10 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 119054910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).