3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine

C16H15ClFN — CID 79451271

IUPAC3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C16H15ClFN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2
InChIKeyJGGIJGAOYVHKAD-UHFFFAOYSA-N
MW275.75 g/mol
LogP3.56
Rot. Bonds3

About 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine

3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine (PubChem CID 79451271) has the molecular formula C16H15ClFN and a molecular weight of 275.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
PubChem CID79451271
Molecular FormulaC16H15ClFN
Molecular Weight275.75 g/mol
Exact Mass275.09
IUPAC Name3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine
SMILESFc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1
InChIInChI=1S/C16H15ClFN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2
InChIKeyJGGIJGAOYVHKAD-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]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-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The IUPAC name of 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine (CID 79451271) is 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine.
What is the SMILES notation for 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The canonical SMILES for 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine is Fc1ccc(CC2(c3ccc(Cl)cc3)CNC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
The InChIKey is JGGIJGAOYVHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN/c17-14-5-3-13(4-6-14)16(10-19-11-16)9-12-1-7-15(18)8-2-12/h1-8,19H,9-11H2.
What are the key properties of 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine?
3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine has a molecular weight of 275.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]azetidine is sourced from PubChem (CID 79451271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).