2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide

• ChemBase编号: 95849
• 分子式: C6H2F11NO2
• 平均质量: 329.0680152
• 单一同位素质量: 328.99098873
• SMILES: O(C(C(C(F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(=O)N)F
• Canonical SMILES: NC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C6H2F11NO2/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H2,18,19)
• InChIKey: VQHXSBVNMOZRLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• IUPAC传统名: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
• 别名: 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

登记号

• MDL号: MFCD00427173
• PubChem SID: 162082498
• PubChem CID: 2780514

理论计算性质

• Acid pKa: 4.4865904
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.4479196
• LogD (pH = 7.4): 3.466162
• Log P: 3.1893563
• 摩尔折射率: 36.9594 cm^3
• 极化性: 14.167746 Å^3
• 极化表面积: 52.32 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true