1-ethenyl-4-(heptadecafluorooctyl)benzene

• ChemBase编号: 93073
• 分子式: C16H7F17
• 平均质量: 522.1996344
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 1-ethenyl-4-(heptadecafluorooctyl)benzene
• IUPAC传统名: 1-ethenyl-4-(heptadecafluorooctyl)benzene
• 别名: 1-(Heptadecafluorooct-1-yl)-4-vinylbenzene; 1-Ethenyl-4-(heptadecafluorooct-1-yl)benzene; 4-(Perfluorooct-1-yl)styrene

登记号

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

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 8.492295
• LogD (pH = 7.4): 8.492295
• Log P: 8.492295
• 摩尔折射率: 74.394 cm^3
• 极化性: 27.362543 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable/Irritant/Keep Cold/Store under Argon