7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol

• ChemBase编号: 93165
• 分子式: C14H13F17O
• 平均质量: 520.2252744
• 单一同位素质量: 520.06949478
• SMILES: FC(C(C(C(C(C(C(C(CCCCCCO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCC(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/C14H13F17O/c15-7(16,5-3-1-2-4-6-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h32H,1-6H2
• InChIKey: LNZANUNVXAAVRW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
• IUPAC传统名: 7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptadecafluorotetradecan-1-ol
• 别名: 6-(Perfluorooctyl)hexanol

登记号

• CAS号: 129794-54-3
• MDL号: MFCD00236073
• PubChem SID: 162079850
• PubChem CID: 2776305

理论计算性质

• Acid pKa: 16.843943
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 7.023345
• LogD (pH = 7.4): 7.023345
• Log P: 7.023345
• 摩尔折射率: 69.8108 cm^3
• 极化性: 26.43103 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Flammable