ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

• ChemBase ID: 12177
• Molecular Formular: C10H3F15O2
• Molecular Mass: 440.105668
• Monoisotopic Mass: 439.98935264
• SMILES: C(C(=O)OC=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=COC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H3F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H,1H2
• InChIKey: UCRSPYLHWASUKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• IUPAC Traditional name: ethenyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• Synonyms: Vinyl perfluorooctanoate

Database IDs

• CAS Number: 307-93-7
• MDL Number: MFCD00078333
• PubChem SID: 160975484
• PubChem CID: 2778087

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7634077
• LogD (pH = 7.4): 5.7634077
• Log P: 5.7634077
• Molar Refractivity: 50.1232 cm^3
• Polarizability: 19.784386 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 65-66°C/100mm
• Density: 1.546
• Refractive Index: 1.3115

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false