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

• ChemBase ID: 97939
• Molecular Formular: C11H9F13O
• Molecular Mass: 404.1678016
• Monoisotopic Mass: 404.04458177
• SMILES: FC(F)(F)C(F)(C(F)(C(F)(F)C(F)(F)C(F)(F)CCOCC=C)F)F
• Canonical SMILES: C=CCOCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H9F13O/c1-2-4-25-5-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-5H2
• InChIKey: GPVGUNIIVWJTLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(prop-2-en-1-yloxy)octane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(prop-2-en-1-yloxy)octane
• Synonyms: Allyl 1H,1H,2H,2H-perfluorooctyl ether

Database IDs

• MDL Number: MFCD00042352
• PubChem SID: 162084417
• PubChem CID: 13570053

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.584412
• LogD (pH = 7.4): 5.584412
• Log P: 5.584412
• Molar Refractivity: 55.4171 cm^3
• Polarizability: 20.81702 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable