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

C7H11F2NO2 — CID 115015301

IUPAC3-(2,2-difluoropropyl)azetidine-3-carboxylic acid
SMILESCC(F)(F)CC1(C(=O)O)CNC1
InChIInChI=1S/C7H11F2NO2/c1-6(8,9)2-7(5(11)12)3-10-4-7/h10H,2-4H2,1H3,(H,11,12)
InChIKeyKNPDZTIOPRSLNH-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.71
Rot. Bonds3

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

3-(2,2-difluoropropyl)azetidine-3-carboxylic acid (PubChem CID 115015301) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)azetidine-3-carboxylic acid
PubChem CID115015301
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-(2,2-difluoropropyl)azetidine-3-carboxylic acid
SMILESCC(F)(F)CC1(C(=O)O)CNC1
InChIInChI=1S/C7H11F2NO2/c1-6(8,9)2-7(5(11)12)3-10-4-7/h10H,2-4H2,1H3,(H,11,12)
InChIKeyKNPDZTIOPRSLNH-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoropropyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid (CID 115015301) is 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid is CC(F)(F)CC1(C(=O)O)CNC1.
What is the InChIKey of 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid?
The InChIKey is KNPDZTIOPRSLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-6(8,9)2-7(5(11)12)3-10-4-7/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid?
3-(2,2-difluoropropyl)azetidine-3-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 115015301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).