2-(3,4-difluorophenyl)morpholine hydrochloride

• ChemBase ID: 288067
• Molecular Formular: C10H12ClF2NO
• Molecular Mass: 235.6581864
• Monoisotopic Mass: 235.05754813
• SMILES: Fc1ccc(C2CNCCO2)cc1F.Cl
• Canonical SMILES: Fc1ccc(cc1F)C1CNCCO1.Cl
• InChI: InChI=1S/C10H11F2NO.ClH/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10;/h1-2,5,10,13H,3-4,6H2;1H
• InChIKey: YWXJCTHXHJCZPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)morpholine hydrochloride
• IUPAC Traditional name: 2-(3,4-difluorophenyl)morpholine hydrochloride
• Synonyms: 2-(3,4-Difluorophenyl)morpholine hydrochloride

Database IDs

• CAS Number: 1251033-05-2
• MDL Number: MFCD09832019
• PubChem SID: 180673598
• PubChem CID: 71464194

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7669561
• LogD (pH = 7.4): 0.9655663
• Log P: 1.6582651
• Molar Refractivity: 48.4835 cm^3
• Polarizability: 18.578077 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%