3-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]prop-1-ene

• ChemBase ID: 99140
• Molecular Formular: C6H6F6O
• Molecular Mass: 208.1016592
• Monoisotopic Mass: 208.03228413
• SMILES: O(CC=C)C(C(F)(F)F)C(F)(F)F
• Canonical SMILES: C=CCOC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6H6F6O/c1-2-3-13-4(5(7,8)9)6(10,11)12/h2,4H,1,3H2
• InChIKey: VDCRSUUXCAHZSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]prop-1-ene
• IUPAC Traditional name: 3-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]prop-1-ene
• Synonyms: 1,1,1,3,3,3-Hexafluoropropan-2-yl prop-2-en-1-yl ether; Allyl perfluoroisopropyl ether 97+%

Database IDs

• CAS Number: 150771-44-1
• PubChem SID: 162085433
• PubChem CID: 21431670

CALCULATED PROPERTIES

• Acid pKa: 15.089575
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8257587
• LogD (pH = 7.4): 2.8257587
• Log P: 2.8257587
• Molar Refractivity: 32.7456 cm^3
• Polarizability: 11.791285 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant