2-(2-fluorophenyl)azetidine hydrochloride

• ChemBase ID: 285001
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: c1(C2NCC2)c(F)cccc1.Cl
• Canonical SMILES: Fc1ccccc1C1CCN1.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-4-2-1-3-7(8)9-5-6-11-9;/h1-4,9,11H,5-6H2;1H
• InChIKey: GKBJVSHXBTVOFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD21602484
• PubChem SID: 180670532
• PubChem CID: 73994654

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4893392
• LogD (pH = 7.4): -0.16719978
• Log P: 1.6224984
• Molar Refractivity: 42.089 cm^3
• Polarizability: 16.29398 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%