3-fluoro-1-methylazetidine

C4H8FN — CID 59504989

IUPAC3-fluoro-1-methylazetidine
SMILESCN1CC(F)C1
InChIInChI=1S/C4H8FN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3
InChIKeyDERXELLTUOVDQH-UHFFFAOYSA-N
MW89.11 g/mol
LogP0.27
Rot. Bonds

About 3-fluoro-1-methylazetidine

3-fluoro-1-methylazetidine (PubChem CID 59504989) has the molecular formula C4H8FN and a molecular weight of 89.11 g/mol. Its IUPAC name is 3-fluoro-1-methylazetidine.

Molecular Properties

Compound Name3-fluoro-1-methylazetidine
PubChem CID59504989
Molecular FormulaC4H8FN
Molecular Weight89.11 g/mol
Exact Mass89.06
IUPAC Name3-fluoro-1-methylazetidine
SMILESCN1CC(F)C1
InChIInChI=1S/C4H8FN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3
InChIKeyDERXELLTUOVDQH-UHFFFAOYSA-N
XLogP0.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.11
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylazetidine?
The IUPAC name of 3-fluoro-1-methylazetidine (CID 59504989) is 3-fluoro-1-methylazetidine.
What is the SMILES notation for 3-fluoro-1-methylazetidine?
The canonical SMILES for 3-fluoro-1-methylazetidine is CN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-methylazetidine?
The InChIKey is DERXELLTUOVDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3.
What are the key properties of 3-fluoro-1-methylazetidine?
3-fluoro-1-methylazetidine has a molecular weight of 89.11 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylazetidine is sourced from PubChem (CID 59504989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).