1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane

• ChemBase ID: 95165
• Molecular Formular: C6H4F10O
• Molecular Mass: 282.079392
• Monoisotopic Mass: 282.01024695
• SMILES: O(CC(F)(F)C(F)F)C(C(F)C(F)(F)F)(F)F
• Canonical SMILES: FC(C(COC(C(C(F)(F)F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2
• InChIKey: DOESGSGKEZIPFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
• IUPAC Traditional name: 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
• Synonyms: 1H,1H,2'H,3H-Decafluorodipropyl ether 97%

Database IDs

• MDL Number: MFCD00476471
• PubChem SID: 162081815
• PubChem CID: 2782285

CALCULATED PROPERTIES

• Acid pKa: 14.988771
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3555198
• LogD (pH = 7.4): 3.3555195
• Log P: 3.3555198
• Molar Refractivity: 32.5265 cm^3
• Polarizability: 12.546349 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 105.9°C
• Flash Point: none°C
• Density: 1.57

Safety Information

• Storage Warning: Irritant