2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride

• ChemBase ID: 94906
• Molecular Formular: C12HF25O4
• Molecular Mass: 684.09402
• Monoisotopic Mass: 683.94756401
• SMILES: O1C(C(OC(C(OC(C(OC(C1(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F.F
• Canonical SMILES: FC(C1(F)OC(F)(F)C(F)(OC(F)(F)C(OC(C(OC1(F)F)(F)C(F)(F)F)(F)F)(F)C(F)(F)F)C(F)(F)F)(F)F.F
• InChI: InChI=1S/C12F24O4.FH/c13-1(5(17,18)19)9(29,30)38-3(15,7(23,24)25)11(33,34)40-4(16,8(26,27)28)12(35,36)39-2(14,6(20,21)22)10(31,32)37-1;/h;1H
• InChIKey: SLEHBJOMTZGQPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride
• IUPAC Traditional name: 2,2,3,5,5,6,8,8,9,11,11,12-dodecafluoro-3,6,9,12-tetrakis(trifluoromethyl)-1,4,7,10-tetraoxacyclododecane hydrofluoride
• Synonyms: Hexafluoropropylene oxide tetramer acid fluoride

Database IDs

• MDL Number: MFCD08458070
• PubChem SID: 162081560
• PubChem CID: 45933610

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 9.546693
• LogD (pH = 7.4): 9.546693
• Log P: 9.546693
• Molar Refractivity: 67.2612 cm^3
• Polarizability: 26.332163 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false