3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-ene

• ChemBase编号: 98697
• 分子式: C8H2F13I
• 平均质量: 471.9851916
• 单一同位素质量: 471.89936492
• SMILES: FC(C(F)(F)F)(F)C(C(F)(C(C(/C=C/I)(F)F)(F)F)F)(F)F
• Canonical SMILES: I/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H2F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H
• InChIKey: WDWNMIBWWPZNJK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-ene
• IUPAC传统名: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooct-1-ene
• 别名: 1H,2H,1-Iodoperfluorooct-1-ene; 1H,2H-Perfluoro-1-iodooct-1-ene

登记号

• CAS号: 150223-14-6
• MDL号: MFCD03094337
• PubChem SID: 162085081
• PubChem CID: 5375714

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.926477
• LogD (pH = 7.4): 5.926477
• Log P: 5.926477
• 摩尔折射率: 53.3745 cm^3
• 极化性: 20.684557 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant