3-(2-fluorophenyl)oxetan-3-amine hydrochloride

• ChemBase ID: 97866
• Molecular Formular: C9H11ClFNO
• Molecular Mass: 203.6411432
• Monoisotopic Mass: 203.05131988
• SMILES: O1CC(c2c(cccc2)F)(C1)N.Cl
• Canonical SMILES: Fc1ccccc1C1(N)COC1.Cl
• InChI: InChI=1S/C9H10FNO.ClH/c10-8-4-2-1-3-7(8)9(11)5-12-6-9;/h1-4H,5-6,11H2;1H
• InChIKey: HPEXYLYWHONDCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)oxetan-3-amine hydrochloride
• IUPAC Traditional name: 3-(2-fluorophenyl)oxetan-3-amine hydrochloride
• Synonyms: 3-(2-Fluorophenyl)oxetan-3-amine hydrochloride; 2-(3-Aminooxetan-3-yl)fluorobenzene hydrochloride; 3-Amino-3-(2-fluorophenyl)oxetane hydrochloride

Database IDs

• PubChem SID: 162105000
• PubChem CID: 53256982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.286674
• LogD (pH = 7.4): 0.40485927
• Log P: 1.0067515
• Molar Refractivity: 43.3821 cm^3
• Polarizability: 17.004286 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful