2-(4-fluorophenyl)-6-phenylmorpholine hydrochloride

• ChemBase ID: 263972
• Molecular Formular: C16H17ClFNO
• Molecular Mass: 293.7636832
• Monoisotopic Mass: 293.09827007
• SMILES: O1C(c2ccc(cc2)F)CNCC1c1ccccc1.Cl
• Canonical SMILES: Fc1ccc(cc1)C1CNCC(O1)c1ccccc1.Cl
• InChI: InChI=1S/C16H16FNO.ClH/c17-14-8-6-13(7-9-14)16-11-18-10-15(19-16)12-4-2-1-3-5-12;/h1-9,15-16,18H,10-11H2;1H
• InChIKey: BIVMEPAWQOAEKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-6-phenylmorpholine hydrochloride
• IUPAC Traditional name: 2-(4-fluorophenyl)-6-phenylmorpholine hydrochloride
• Synonyms: 2-(4-fluorophenyl)-6-phenylmorpholine hydrochloride

Database IDs

• MDL Number: MFCD13196217
• PubChem SID: 164319882
• PubChem CID: 45792461

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7532398
• LogD (pH = 7.4): 2.48593
• Log P: 3.2998035
• Molar Refractivity: 72.5499 cm^3
• Polarizability: 28.416431 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258 - 260°C
• Hydrophobicity(logP): 2.851

Product Information

• Purity: 95%