2-(3,4-difluorophenyl)morpholine

• ChemBase ID: 269005
• Molecular Formular: C10H11F2NO
• Molecular Mass: 199.1972464
• Monoisotopic Mass: 199.08087042
• SMILES: c1(cc(c(cc1)F)F)C1OCCNC1
• Canonical SMILES: Fc1ccc(cc1F)C1CNCCO1
• InChI: InChI=1S/C10H11F2NO/c11-8-2-1-7(5-9(8)12)10-6-13-3-4-14-10/h1-2,5,10,13H,3-4,6H2
• InChIKey: VPRWAYIZWAKYTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11646219
• PubChem SID: 164324915
• PubChem CID: 43350804

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

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): 1.366

Product Information

• Purity: 95%