3-(difluoromethoxy)azetidine-1-carboxylic acid

C5H7F2NO3 — CID 154490832

IUPAC3-(difluoromethoxy)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(OC(F)F)C1
InChIInChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeySFKDURIDYUMJMI-UHFFFAOYSA-N
MW167.11 g/mol
LogP0.59
Rot. Bonds2

About 3-(difluoromethoxy)azetidine-1-carboxylic acid

3-(difluoromethoxy)azetidine-1-carboxylic acid (PubChem CID 154490832) has the molecular formula C5H7F2NO3 and a molecular weight of 167.11 g/mol. Its IUPAC name is 3-(difluoromethoxy)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethoxy)azetidine-1-carboxylic acid
PubChem CID154490832
Molecular FormulaC5H7F2NO3
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name3-(difluoromethoxy)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(OC(F)F)C1
InChIInChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10)
InChIKeySFKDURIDYUMJMI-UHFFFAOYSA-N
XLogP0.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)azetidine-1-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-(difluoromethoxy)azetidine-1-carboxylic acid?
The IUPAC name of 3-(difluoromethoxy)azetidine-1-carboxylic acid (CID 154490832) is 3-(difluoromethoxy)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(difluoromethoxy)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(difluoromethoxy)azetidine-1-carboxylic acid is O=C(O)N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)azetidine-1-carboxylic acid?
The InChIKey is SFKDURIDYUMJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO3/c6-4(7)11-3-1-8(2-3)5(9)10/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3-(difluoromethoxy)azetidine-1-carboxylic acid?
3-(difluoromethoxy)azetidine-1-carboxylic acid has a molecular weight of 167.11 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)azetidine-1-carboxylic acid is sourced from PubChem (CID 154490832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).