4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol

• ChemBase编号: 12000
• 分子式: C11H6F17IO
• 平均质量: 604.0420644
• 单一同位素质量: 603.91919255
• SMILES: C(CC(C(C(C(C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(I)CO
• Canonical SMILES: OCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C11H6F17IO/c12-4(13,1-3(29)2-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,30H,1-2H2
• InChIKey: WNOHMWCTVWXSJC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
• IUPAC传统名: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-iodoundecan-1-ol
• 别名: 1H,1H,2H,3H,3H-2-Iodoperfluoroundecan-1-ol; 3-Perfluorooctyl-2-iodopropanol 97%; 1H,1H,2H,3H,3H-2-Iodoperfluoroundecan-1-ol

登记号

• CAS号: 38550-45-7
• MDL号: MFCD00236072
• PubChem SID: 160975307
• PubChem CID: 170065

理论计算性质

• Acid pKa: 14.607741
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.7696195
• LogD (pH = 7.4): 6.7696195
• Log P: 6.7696195
• 摩尔折射率: 68.2111 cm^3
• 极化性: 27.118471 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: IRRITANT; Irritant
• TSCA收录: false

产品相关信息

• 纯度: 97%