tridecafluoroheptanamide

• ChemBase编号: 15292
• 分子式: C7H2F13NO
• 平均质量: 363.0761216
• 单一同位素质量: 362.99288055
• SMILES: C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H2F13NO/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20/h(H2,21,22)
• InChIKey: SMJYTRJJHRJAED-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluoroheptanamide
• IUPAC传统名: tridecafluoroheptanamide
• 别名: Tridecafluoroheptanamide; 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptanamide; Perfluoroheptanamide

登记号

• CAS号: 2358-22-7
• MDL号: MFCD00407510
• PubChem SID: 160978599
• PubChem CID: 2769670

理论计算性质

• Acid pKa: 3.2639632
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.8811252
• LogD (pH = 7.4): 3.8822944
• Log P: 3.605254
• 摩尔折射率: 38.8161 cm^3
• 极化性: 15.247322 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 121.5-122.5°C; 136°C
• 闪点: >110°C

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%