3-[(2-fluorophenyl)methoxy]azetidine hydrochloride

• ChemBase ID: 37810
• Molecular Formular: C10H13ClFNO
• Molecular Mass: 217.6677232
• Monoisotopic Mass: 217.06696994
• SMILES: C1NCC1OCc1ccccc1F.Cl
• Canonical SMILES: Fc1ccccc1COC1CNC1.Cl
• InChI: InChI=1S/C10H12FNO.ClH/c11-10-4-2-1-3-8(10)7-13-9-5-12-6-9;/h1-4,9,12H,5-7H2;1H
• InChIKey: HBBGKVZKHKFSDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)methoxy]azetidine hydrochloride
• IUPAC Traditional name: 3-[(2-fluorophenyl)methoxy]azetidine hydrochloride
• Synonyms: 3-[(2-Fluorobenzyl)oxy]azetidine hydrochloride

Database IDs

• MDL Number: MFCD12028316
• PubChem SID: 161001117
• PubChem CID: 46737013

CALCULATED PROPERTIES

• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4390738
• LogD (pH = 7.4): 0.1339016
• Log P: 1.5155632
• Molar Refractivity: 48.2671 cm^3
• Polarizability: 18.838821 Å^3
• Polar Surface Area: 21.26 Å^2

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false