2-[3-(difluoromethoxy)phenyl]morpholine

• ChemBase ID: 244113
• Molecular Formular: C11H13F2NO2
• Molecular Mass: 229.2232264
• Monoisotopic Mass: 229.0914351
• SMILES: C(Oc1cc(C2OCCNC2)ccc1)(F)F
• Canonical SMILES: FC(Oc1cccc(c1)C1CNCCO1)F
• InChI: InChI=1S/C11H13F2NO2/c12-11(13)16-9-3-1-2-8(6-9)10-7-14-4-5-15-10/h1-3,6,10-11,14H,4-5,7H2
• InChIKey: SNOOHUIZKCHLMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(difluoromethoxy)phenyl]morpholine
• IUPAC Traditional name: 2-[3-(difluoromethoxy)phenyl]morpholine
• Synonyms: 2-[3-(difluoromethoxy)phenyl]morpholine

Database IDs

• MDL Number: MFCD11646246
• PubChem SID: 164300023
• PubChem CID: 43169341

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34083572
• LogD (pH = 7.4): 1.3935435
• Log P: 2.1419482
• Molar Refractivity: 54.5228 cm^3
• Polarizability: 21.201063 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.515

Product Information

• Purity: 95%