3-(2,2-difluoroethoxy)azetidine

C5H9F2NO — CID 63104961

IUPAC3-(2,2-difluoroethoxy)azetidine
SMILESFC(F)COC1CNC1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-9-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyRWGJIIAIZBYDAN-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.24
Rot. Bonds3

About 3-(2,2-difluoroethoxy)azetidine

3-(2,2-difluoroethoxy)azetidine (PubChem CID 63104961) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)azetidine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)azetidine
PubChem CID63104961
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(2,2-difluoroethoxy)azetidine
SMILESFC(F)COC1CNC1
InChIInChI=1S/C5H9F2NO/c6-5(7)3-9-4-1-8-2-4/h4-5,8H,1-3H2
InChIKeyRWGJIIAIZBYDAN-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-difluoroethoxy)azetidine 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-difluoroethoxy)azetidine?
The IUPAC name of 3-(2,2-difluoroethoxy)azetidine (CID 63104961) is 3-(2,2-difluoroethoxy)azetidine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)azetidine?
The canonical SMILES for 3-(2,2-difluoroethoxy)azetidine is FC(F)COC1CNC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)azetidine?
The InChIKey is RWGJIIAIZBYDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)3-9-4-1-8-2-4/h4-5,8H,1-3H2.
What are the key properties of 3-(2,2-difluoroethoxy)azetidine?
3-(2,2-difluoroethoxy)azetidine has a molecular weight of 137.13 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)azetidine is sourced from PubChem (CID 63104961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).