ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate

• ChemBase ID: 94802
• Molecular Formular: C11H3F17O2
• Molecular Mass: 490.1131744
• Monoisotopic Mass: 489.98615908
• SMILES: FC(C(C(C(C(C(C(C(C(=O)OC=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=COC(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H3F17O2/c1-2-30-3(29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H2
• InChIKey: PQEMXLVPFPSANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• IUPAC Traditional name: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
• Synonyms: Vinyl perfluorononanoate

Database IDs

• MDL Number: MFCD00078320
• PubChem SID: 162081456
• PubChem CID: 2778085

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.4640503
• LogD (pH = 7.4): 6.4640503
• Log P: 6.4640503
• Molar Refractivity: 54.7912 cm^3
• Polarizability: 21.692743 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant