2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one

• ChemBase ID: 95854
• Molecular Formular: C13H8F17NO4
• Molecular Mass: 565.1797744
• Monoisotopic Mass: 565.01818748
• SMILES: O(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(=O)N1CCOCC1)(C(F)(F)F)F
• Canonical SMILES: O=C(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)N1CCOCC1
• InChI: InChI=1S/C13H8F17NO4/c14-6(9(18,19)20,5(32)31-1-3-33-4-2-31)34-13(29,30)8(17,11(24,25)26)35-12(27,28)7(15,16)10(21,22)23/h1-4H2
• InChIKey: SDCKSDMRHLPCBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one
• IUPAC Traditional name: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(morpholin-4-yl)propan-1-one
• Synonyms: 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-morpholinopropan-1-one

Database IDs

• MDL Number: MFCD00319431
• PubChem SID: 162082503
• PubChem CID: 2780521

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.804881
• LogD (pH = 7.4): 5.804881
• Log P: 5.804881
• Molar Refractivity: 72.6426 cm^3
• Polarizability: 27.389626 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false