1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane

• ChemBase编号: 100842
• 分子式: C7H2F14
• 平均质量: 352.0684248
• 单一同位素质量: 351.99329514
• SMILES: C(C(F)(F)C(F)(F)C(F)(F)C(F)(C(C(F)F)(F)F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H2F14/c8-1(9)3(12,13)5(16,17)7(20,21)6(18,19)4(14,15)2(10)11/h1-2H
• InChIKey: JEKPYLPQINQEAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane
• 别名: 1H,7H-Perfluoroheptane 97%

登记号

• CAS号: 19493-30-2
• MDL号: MFCD08458164
• PubChem SID: 162087427
• PubChem CID: 21020667

理论计算性质

• Acid pKa: 19.485748
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.60741
• LogD (pH = 7.4): 4.60741
• Log P: 4.60741
• 摩尔折射率: 34.4298 cm^3
• 极化性: 13.977667 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: true

分子性质

安全信息

• 保存注意事项: Irritant