1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine

C9H17F2NO — CID 167031001

IUPAC1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OCC1CCN1CC(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)13-6-8-3-4-12(8)5-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyUBSHKSFSJBQGQA-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds5

About 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine

1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine (PubChem CID 167031001) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
PubChem CID167031001
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine
SMILESCC(C)OCC1CCN1CC(F)F
InChIInChI=1S/C9H17F2NO/c1-7(2)13-6-8-3-4-12(8)5-9(10)11/h7-9H,3-6H2,1-2H3
InChIKeyUBSHKSFSJBQGQA-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)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 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine (CID 167031001) is 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine is CC(C)OCC1CCN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
The InChIKey is UBSHKSFSJBQGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-6-8-3-4-12(8)5-9(10)11/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine?
1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(propan-2-yloxymethyl)azetidine is sourced from PubChem (CID 167031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).