1-(diphenylmethyl)-3-fluoroazetidine

• ChemBase ID: 288061
• Molecular Formular: C16H16FN
• Molecular Mass: 241.3033432
• Monoisotopic Mass: 241.12667774
• SMILES: FC1CN(C(c2ccccc2)c2ccccc2)C1
• Canonical SMILES: FC1CN(C1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H16FN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: ZYKWABRWFBVPIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diphenylmethyl)-3-fluoroazetidine
• IUPAC Traditional name: 1-(diphenylmethyl)-3-fluoroazetidine
• Synonyms: 1-(Diphenylmethyl)-3-fluoroazetidine

Database IDs

• CAS Number: 617718-45-3
• PubChem SID: 180673592
• PubChem CID: 7330507

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.404568
• LogD (pH = 7.4): 3.780424
• Log P: 3.7881145
• Molar Refractivity: 71.1849 cm^3
• Polarizability: 27.771433 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%