3-fluoro-3-(2-fluorophenyl)azetidine hydrochloride

• ChemBase ID: 247499
• Molecular Formular: C9H10ClF2N
• Molecular Mass: 205.6322064
• Monoisotopic Mass: 205.04698345
• SMILES: C1(c2c(F)cccc2)(F)CNC1.Cl
• Canonical SMILES: Fc1ccccc1C1(F)CNC1.Cl
• InChI: InChI=1S/C9H9F2N.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4,12H,5-6H2;1H
• InChIKey: YZOZNARZOKRFPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-3-(2-fluorophenyl)azetidine hydrochloride
• IUPAC Traditional name: 3-fluoro-3-(2-fluorophenyl)azetidine hydrochloride
• Synonyms: 3-fluoro-3-(2-fluorophenyl)azetidine hydrochloride

Database IDs

• PubChem SID: 164303409
• PubChem CID: 71758239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.37605906
• LogD (pH = 7.4): 1.5911117
• Log P: 1.6872972
• Molar Refractivity: 41.7134 cm^3
• Polarizability: 16.036787 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.161

Product Information

• Purity: 95%