2,2,6,6-tetrafluoromorpholine

• ChemBase ID: 262349
• Molecular Formular: C4H5F4NO
• Molecular Mass: 159.0822128
• Monoisotopic Mass: 159.03072667
• SMILES: O1C(F)(F)CNCC1(F)F
• Canonical SMILES: FC1(F)CNCC(O1)(F)F
• InChI: InChI=1S/C4H5F4NO/c5-3(6)1-9-2-4(7,8)10-3/h9H,1-2H2
• InChIKey: YACLYCZXSSPAII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetrafluoromorpholine
• IUPAC Traditional name: 2,2,6,6-tetrafluoromorpholine
• Synonyms: 2,2,6,6-tetrafluoromorpholine

Database IDs

• MDL Number: MFCD09971734
• PubChem SID: 164318259
• PubChem CID: 21732460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2848295
• LogD (pH = 7.4): 1.2848976
• Log P: 1.2848985
• Molar Refractivity: 24.8981 cm^3
• Polarizability: 9.345908 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%