3-benzyl-3-fluoroazetidine

C10H12FN — CID 59418295

IUPAC3-benzyl-3-fluoroazetidine
SMILESFC1(Cc2ccccc2)CNC1
InChIInChI=1S/C10H12FN/c11-10(7-12-8-10)6-9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKeyIUWCLNGIEDWONX-UHFFFAOYSA-N
MW165.21 g/mol
LogP1.54
Rot. Bonds2

About 3-benzyl-3-fluoroazetidine

3-benzyl-3-fluoroazetidine (PubChem CID 59418295) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 3-benzyl-3-fluoroazetidine.

Molecular Properties

Compound Name3-benzyl-3-fluoroazetidine
PubChem CID59418295
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name3-benzyl-3-fluoroazetidine
SMILESFC1(Cc2ccccc2)CNC1
InChIInChI=1S/C10H12FN/c11-10(7-12-8-10)6-9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKeyIUWCLNGIEDWONX-UHFFFAOYSA-N
XLogP1.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-3-fluoroazetidine 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-benzyl-3-fluoroazetidine?
The IUPAC name of 3-benzyl-3-fluoroazetidine (CID 59418295) is 3-benzyl-3-fluoroazetidine.
What is the SMILES notation for 3-benzyl-3-fluoroazetidine?
The canonical SMILES for 3-benzyl-3-fluoroazetidine is FC1(Cc2ccccc2)CNC1.
What is the InChIKey of 3-benzyl-3-fluoroazetidine?
The InChIKey is IUWCLNGIEDWONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c11-10(7-12-8-10)6-9-4-2-1-3-5-9/h1-5,12H,6-8H2.
What are the key properties of 3-benzyl-3-fluoroazetidine?
3-benzyl-3-fluoroazetidine has a molecular weight of 165.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-fluoroazetidine is sourced from PubChem (CID 59418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).