1,1,1,3,3,4,4,5,5,7,8,10,10,11,11,12,12,14,14,14-icosafluoro-7,8-bis(trifluoromethyl)-2,6,9,13-tetraoxatetradecane

• ChemBase ID: 95815
• Molecular Formular: C12F26O4
• Molecular Mass: 702.0844832
• Monoisotopic Mass: 701.9381422
• SMILES: O(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)C(C(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(C(F)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F)(C(F)(F)F)OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C12F26O4/c13-1(14,9(29,30)41-11(33,34)35)7(25,26)39-3(17,5(19,20)21)4(18,6(22,23)24)40-8(27,28)2(15,16)10(31,32)42-12(36,37)38
• InChIKey: NDLQUALGYZMAAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3,4,4,5,5,7,8,10,10,11,11,12,12,14,14,14-icosafluoro-7,8-bis(trifluoromethyl)-2,6,9,13-tetraoxatetradecane
• IUPAC Traditional name: 1,1,1,3,3,4,4,5,5,7,8,10,10,11,11,12,12,14,14,14-icosafluoro-7,8-bis(trifluoromethyl)-2,6,9,13-tetraoxatetradecane
• Synonyms: 1,1,1,2,3,4,4,4-octafluoro-2,3-di[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]butane

Database IDs

• MDL Number: MFCD00219315
• PubChem SID: 162082464
• PubChem CID: 2780453

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 11.126049
• LogD (pH = 7.4): 11.126049
• Log P: 11.126049
• Molar Refractivity: 61.367 cm^3
• Polarizability: 27.270235 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false