2-(3,4-difluorophenoxymethyl)morpholine

• ChemBase ID: 244183
• Molecular Formular: C11H13F2NO2
• Molecular Mass: 229.2232264
• Monoisotopic Mass: 229.0914351
• SMILES: c1(cc(OCC2OCCNC2)ccc1F)F
• Canonical SMILES: Fc1ccc(cc1F)OCC1CNCCO1
• InChI: InChI=1S/C11H13F2NO2/c12-10-2-1-8(5-11(10)13)16-7-9-6-14-3-4-15-9/h1-2,5,9,14H,3-4,6-7H2
• InChIKey: FWGZLYHSKGFEEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14493828
• PubChem SID: 164300093
• PubChem CID: 42849151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0092099
• LogD (pH = 7.4): 0.7201801
• Log P: 1.5778416
• Molar Refractivity: 54.4231 cm^3
• Polarizability: 21.142046 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 1.897

Product Information

• Purity: 95%