3-fluoro-3-(methoxymethyl)-1-methylazetidine

C6H12FNO — CID 156575155

IUPAC3-fluoro-3-(methoxymethyl)-1-methylazetidine
SMILESCOCC1(F)CN(C)C1
InChIInChI=1S/C6H12FNO/c1-8-3-6(7,4-8)5-9-2/h3-5H2,1-2H3
InChIKeyWQIHFSILZGZQJV-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.29
Rot. Bonds2

About 3-fluoro-3-(methoxymethyl)-1-methylazetidine

3-fluoro-3-(methoxymethyl)-1-methylazetidine (PubChem CID 156575155) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-methylazetidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-methylazetidine
PubChem CID156575155
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-fluoro-3-(methoxymethyl)-1-methylazetidine
SMILESCOCC1(F)CN(C)C1
InChIInChI=1S/C6H12FNO/c1-8-3-6(7,4-8)5-9-2/h3-5H2,1-2H3
InChIKeyWQIHFSILZGZQJV-UHFFFAOYSA-N
XLogP0.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(methoxymethyl)-1-methylazetidine 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-(methoxymethyl)-1-methylazetidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylazetidine (CID 156575155) is 3-fluoro-3-(methoxymethyl)-1-methylazetidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-methylazetidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-methylazetidine is COCC1(F)CN(C)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-methylazetidine?
The InChIKey is WQIHFSILZGZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-6(7,4-8)5-9-2/h3-5H2,1-2H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-methylazetidine?
3-fluoro-3-(methoxymethyl)-1-methylazetidine has a molecular weight of 133.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-methylazetidine is sourced from PubChem (CID 156575155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).