1-ethenyl-4-(heptadecafluorooctyl)benzene

• ChemBase ID: 93073
• Molecular Formular: C16H7F17
• Molecular Mass: 522.1996344
• Monoisotopic Mass: 522.02762996
• SMILES: FC(C(C(C(C(C(C(C(c1ccc(cc1)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: C=Cc1ccc(cc1)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/C16H7F17/c1-2-7-3-5-8(6-4-7)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-6H,1H2
• InChIKey: DBTAMHSPOTZDDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-(heptadecafluorooctyl)benzene
• IUPAC Traditional name: 1-ethenyl-4-(heptadecafluorooctyl)benzene
• Synonyms: 1-(Heptadecafluorooct-1-yl)-4-vinylbenzene; 1-Ethenyl-4-(heptadecafluorooct-1-yl)benzene; 4-(Perfluorooct-1-yl)styrene

Database IDs

• CAS Number: 106209-21-6
• MDL Number: MFCD17168266
• PubChem SID: 162079769
• PubChem CID: 51342017

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.492295
• LogD (pH = 7.4): 8.492295
• Log P: 8.492295
• Molar Refractivity: 74.394 cm^3
• Polarizability: 27.362543 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable/Irritant/Keep Cold/Store under Argon