1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane

• ChemBase ID: 7032
• Molecular Formular: C11H7F15O
• Molecular Mass: 440.148728
• Monoisotopic Mass: 440.02573814
• SMILES: C(COCC=C)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=CCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
• InChIKey: DPOFHGRLDJWXKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-(prop-2-en-1-yloxy)octane
• Synonyms: Allyl 1H,1H-perfluorooctyl ether; 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-Pentadecafluoro-8-(prop-2-en-1-yloxy)octane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl prop-2-en-1-yl ether; Allyl 1H,1H-pentafluorooctyl ether

Database IDs

• CAS Number: 812-72-6
• MDL Number: MFCD00042149
• PubChem SID: 160970339
• PubChem CID: 2735872

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.014752
• LogD (pH = 7.4): 6.014752
• Log P: 6.014752
• Molar Refractivity: 55.6333 cm^3
• Polarizability: 21.072533 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 178°C
• Density: 1.561
• Refractive Index: 1.3202; 1.3222

Safety Information

• Storage Warning: Harmful/Irritant
• TSCA Listed: false

Product Information

• Purity: 97%