1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-tricosafluoro-5,8,11,14-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecane

• ChemBase ID: 98847
• Molecular Formular: C17HF35O5
• Molecular Mass: 950.130952
• Monoisotopic Mass: 949.92651083
• SMILES: O(C(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(OC(C(OC(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(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)(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C17HF35O5/c18-1(2(19,20)21)53-14(45,46)4(24,9(31,32)33)55-16(49,50)6(26,11(37,38)39)57-17(51,52)7(27,12(40,41)42)56-15(47,48)5(25,10(34,35)36)54-13(43,44)3(22,23)8(28,29)30/h1H
• InChIKey: MEXQRXXROOSHGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-tricosafluoro-5,8,11,14-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecane
• IUPAC Traditional name: 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-tricosafluoro-5,8,11,14-tetrakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecane
• Synonyms: 2H-Perfluoro-5,8,11,14-tetramethyl-3,6,9,12,15-pentaoxaoctadecane 97%; Fluoroether E5; 2H-Perfluoro-5,8,11,14-tetramethyl-3,6,9,12,15-pentaoxaoctadecane; 2H-全氟-5,8,11,14-四甲基-3,6,9,12,15-五氧杂十八烷

Database IDs

• CAS Number: 37486-69-4
• EC Number: 000-000-0
• MDL Number: MFCD00054716
• PubChem SID: 162085199
• PubChem CID: 123459

CALCULATED PROPERTIES

• Acid pKa: 18.865005
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 13.526323
• LogD (pH = 7.4): 13.526323
• Log P: 13.526323
• Molar Refractivity: 96.056 cm^3
• Polarizability: 37.497143 Å^3
• Polar Surface Area: 46.15 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: -95°C; -95°C
• Boiling Point: 221-225°C; 221-225°C
• Flash Point: None
• Density: 1.765

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 是