4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol

• ChemBase编号: 99244
• 分子式: C8H7F11O2
• 平均质量: 344.1224152
• 单一同位素质量: 344.02703988
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(CCCO)F
• Canonical SMILES: OCCCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H7F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
• InChIKey: UDRGWQXICZMATL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol
• IUPAC传统名: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol
• 别名: 4,5,5,5-Tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol 97%

登记号

• MDL号: MFCD00155940
• PubChem SID: 162085530
• PubChem CID: 2776688

理论计算性质

• Acid pKa: 15.964188
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.872456
• LogD (pH = 7.4): 3.872456
• Log P: 3.872456
• 摩尔折射率: 44.8151 cm^3
• 极化性: 16.702381 Å^3
• 极化表面积: 29.46 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Flammable