1-(1-fluoropropan-2-yl)-3-methylazetidine

C7H14FN — CID 118543829

IUPAC1-(1-fluoropropan-2-yl)-3-methylazetidine
SMILESCC1CN(C(C)CF)C1
InChIInChI=1S/C7H14FN/c1-6-4-9(5-6)7(2)3-8/h6-7H,3-5H2,1-2H3
InChIKeyKVLZRWRWMJXUKG-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.30
Rot. Bonds2

About 1-(1-fluoropropan-2-yl)-3-methylazetidine

1-(1-fluoropropan-2-yl)-3-methylazetidine (PubChem CID 118543829) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-methylazetidine.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-methylazetidine
PubChem CID118543829
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name1-(1-fluoropropan-2-yl)-3-methylazetidine
SMILESCC1CN(C(C)CF)C1
InChIInChI=1S/C7H14FN/c1-6-4-9(5-6)7(2)3-8/h6-7H,3-5H2,1-2H3
InChIKeyKVLZRWRWMJXUKG-UHFFFAOYSA-N
XLogP1.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-fluoropropan-2-yl)-3-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 1-(1-fluoropropan-2-yl)-3-methylazetidine?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-methylazetidine (CID 118543829) is 1-(1-fluoropropan-2-yl)-3-methylazetidine.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-methylazetidine?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-methylazetidine is CC1CN(C(C)CF)C1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-methylazetidine?
The InChIKey is KVLZRWRWMJXUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6-4-9(5-6)7(2)3-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(1-fluoropropan-2-yl)-3-methylazetidine?
1-(1-fluoropropan-2-yl)-3-methylazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-methylazetidine is sourced from PubChem (CID 118543829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).