3-(3-fluorophenyl)azetidine

• ChemBase ID: 169184
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CNC1)c1cccc(c1)F
• Canonical SMILES: Fc1cccc(c1)C1CNC1
• InChI: InChI=1S/C9H10FN/c10-9-3-1-2-7(4-9)8-5-11-6-8/h1-4,8,11H,5-6H2
• InChIKey: ZXSOUXUQIJCRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)azetidine
• IUPAC Traditional name: 3-(3-fluorophenyl)azetidine
• Synonyms: 3-(3-Fluorophenyl)azetidine

Database IDs

• CAS Number: 1203798-80-4
• PubChem SID: 162263316
• PubChem CID: 55250940

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7640132
• LogD (pH = 7.4): -1.0119487
• Log P: 1.4513857
• Molar Refractivity: 42.3176 cm^3
• Polarizability: 16.219347 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F595305

A 3-phenylazetidine derivative used in the preparation of pyridinyl amides for treatment of CNS and metabolic disorders.