2,4,4,5,7,7,8,8,10,11,11,13,14,14,16-pentadecafluoro-2,5,10,13,16-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecanedioyl difluoride

• ChemBase ID: 100645
• Molecular Formular: C17F32O7
• Molecular Mass: 924.1266024
• Monoisotopic Mass: 923.91330538
• SMILES: O(C(C(OC(C(OC(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(F)(F)F)(C(=O)F)F
• Canonical SMILES: FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C17F32O7/c18-1(50)3(20,8(25,26)27)52-13(40,41)5(22,10(31,32)33)54-15(44,45)7(24,12(37,38)39)56-17(48,49)16(46,47)55-6(23,11(34,35)36)14(42,43)53-4(21,2(19)51)9(28,29)30
• InChIKey: LXDDXXAFOATVOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,4,5,7,7,8,8,10,11,11,13,14,14,16-pentadecafluoro-2,5,10,13,16-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecanedioyl difluoride
• IUPAC Traditional name: 2,4,4,5,7,7,8,8,10,11,11,13,14,14,16-pentadecafluoro-2,5,10,13,16-pentakis(trifluoromethyl)-3,6,9,12,15-pentaoxaheptadecanedioyl difluoride
• Synonyms: Perfluoro-2,5,8,13,16-pentamethyl-3,6,9,12,15-pentaoxaheptadecane-1,17-dioyl fluoride; Perfluoropolyether diacid fluoride

Database IDs

• MDL Number: MFCD04973890
• PubChem SID: 162086888
• PubChem CID: 2776349

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 12.161096
• LogD (pH = 7.4): 12.161096
• Log P: 12.161096
• Molar Refractivity: 96.9621 cm^3
• Polarizability: 37.627575 Å^3
• Polar Surface Area: 80.29 Å^2
• Rotatable Bonds: 21
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 95-98°C/0.1mm

Safety Information

• Storage Warning: Corrosive

DETAILS

Apollo Scientific Ltd - PC9339

Call for custom synthesis based on HFPO chemistry