• ChemBase ID: 98696
• Molecular Formular: C21H12F32O4
• Molecular Mass: 936.2664824
• Monoisotopic Mass: 936.0224619
• SMILES: O(CC(C(C(C(F)F)(F)F)(F)F)(F)F)C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(F)(F)C(F)(F)C(C(F)F)(F)F)OCC(C(C(F)(F)C(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(COC(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C21H12F32O4/c22-5(23)13(38,39)17(46,47)9(30,31)1-54-21(55-2-10(32,33)18(48,49)14(40,41)6(24)25,56-3-11(34,35)19(50,51)15(42,43)7(26)27)57-4-12(36,37)20(52,53)16(44,45)8(28)29/h5-8H,1-4H2
• InChIKey: HORCGEVYALXMCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: Tetrakis(2,2,3,3,4,4,5,5-octafluoropentyl)orthocarbonate 97%

Database IDs

• MDL Number: MFCD09258994
• PubChem SID: 162085080
• PubChem CID: 2776816

CALCULATED PROPERTIES

• Acid pKa: 19.187487
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 11.587648
• LogD (pH = 7.4): 11.587648
• Log P: 11.587648
• Molar Refractivity: 105.8246 cm^3
• Polarizability: 42.393833 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 24
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 135°C/0.05mm

Safety Information

• Storage Warning: Irritant