2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-icosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecanoyl fluoride

• ChemBase ID: 6661
• Molecular Formular: C18F36O6
• Molecular Mass: 996.1315152
• Monoisotopic Mass: 995.91200364
• SMILES: O=C(C(OC(C(OC(C(OC(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(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)F
• Canonical SMILES: FC(=O)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)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C18F36O6/c19-1(55)2(20,8(27,28)29)56-15(47,48)4(23,10(33,34)35)58-17(51,52)6(25,12(39,40)41)60-18(53,54)7(26,13(42,43)44)59-16(49,50)5(24,11(36,37)38)57-14(45,46)3(21,22)9(30,31)32
• InChIKey: VOAMXAGBQIGIEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-icosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecanoyl fluoride
• IUPAC Traditional name: 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,17,18,18,18-icosafluoro-2,5,8,11,14-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaoctadecanoyl fluoride
• Synonyms: Perfluoro-2,5,8,11,14-pentamethyl-3,6,9,12,15-pentaoxaoctadecanoyl fluoride; HFPO hexamer; acid fluoride; Perfluoro-2,5,8,11,14-pentamethyl-3,6,9,12,15-pentaoxaoctadecanoyl fluoride 90% min

Database IDs

• CAS Number: 13252-15-8
• MDL Number: MFCD00054661
• PubChem SID: 160969968
• PubChem CID: 123299

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 13.788733
• LogD (pH = 7.4): 13.788733
• Log P: 13.788733
• Molar Refractivity: 101.6219 cm^3
• Polarizability: 39.572887 Å^3
• Polar Surface Area: 63.22 Å^2
• Rotatable Bonds: 22
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 231-235°C
• Density: 1.796; 1.8

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• TSCA Listed: true

Product Information

• Purity: 90%

DETAILS

Apollo Scientific Ltd - PC5843

Typically 92%, bal. other HFPO oligomer acid fluorides