3-fluoro-3-(oxan-2-ylmethyl)azetidine

C9H16FNO — CID 122239846

IUPAC3-fluoro-3-(oxan-2-ylmethyl)azetidine
SMILESFC1(CC2CCCCO2)CNC1
InChIInChI=1S/C9H16FNO/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h8,11H,1-7H2
InChIKeyNLPJHWIMUBLTOJ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds2

About 3-fluoro-3-(oxan-2-ylmethyl)azetidine

3-fluoro-3-(oxan-2-ylmethyl)azetidine (PubChem CID 122239846) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-2-ylmethyl)azetidine
PubChem CID122239846
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-3-(oxan-2-ylmethyl)azetidine
SMILESFC1(CC2CCCCO2)CNC1
InChIInChI=1S/C9H16FNO/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h8,11H,1-7H2
InChIKeyNLPJHWIMUBLTOJ-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(oxan-2-ylmethyl)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-fluoro-3-(oxan-2-ylmethyl)azetidine?
The IUPAC name of 3-fluoro-3-(oxan-2-ylmethyl)azetidine (CID 122239846) is 3-fluoro-3-(oxan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(oxan-2-ylmethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(oxan-2-ylmethyl)azetidine is FC1(CC2CCCCO2)CNC1.
What is the InChIKey of 3-fluoro-3-(oxan-2-ylmethyl)azetidine?
The InChIKey is NLPJHWIMUBLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-9(6-11-7-9)5-8-3-1-2-4-12-8/h8,11H,1-7H2.
What are the key properties of 3-fluoro-3-(oxan-2-ylmethyl)azetidine?
3-fluoro-3-(oxan-2-ylmethyl)azetidine has a molecular weight of 173.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-2-ylmethyl)azetidine is sourced from PubChem (CID 122239846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).