3-(4-fluorophenyl)oxetan-3-amine

• ChemBase ID: 800591
• Molecular Formular: C9H10FNO
• Molecular Mass: 167.1802032
• Monoisotopic Mass: 167.07464217
• SMILES: O1CC(C1)(N)c1ccc(cc1)F
• Canonical SMILES: NC1(COC1)c1ccc(cc1)F
• InChI: InChI=1S/C9H10FNO/c10-8-3-1-7(2-4-8)9(11)5-12-6-9/h1-4H,5-6,11H2
• InChIKey: ZFYBRHUYNCEPPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)oxetan-3-amine
• IUPAC Traditional name: 3-(4-fluorophenyl)oxetan-3-amine
• Synonyms: 3-(4-FLUOROPHENYL)OXETAN-3-AMINE

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5695266
• LogD (pH = 7.4): 0.09199692
• Log P: 1.0067515
• Molar Refractivity: 43.3821 cm^3
• Polarizability: 17.004473 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1

PROPERTIES

Product Information

• Purity: 98%