undecafluorohexanamide

• ChemBase编号: 99227
• 分子式: C6H2F11NO
• 平均质量: 313.0686152
• 单一同位素质量: 312.99607411
• SMILES: O=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N
• Canonical SMILES: NC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6H2F11NO/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H2,18,19)
• InChIKey: ATJMLNAMXAIUCX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: undecafluorohexanamide
• IUPAC传统名: undecafluorohexanamide
• 别名: 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanamide; Perfluorohexanamide

登记号

• CAS号: 335-54-6
• PubChem SID: 162085514
• PubChem CID: 14569599

理论计算性质

• Acid pKa: 3.7830417
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.1777933
• LogD (pH = 7.4): 3.1816173
• Log P: 2.904611
• 摩尔折射率: 34.1481 cm^3
• 极化性: 13.332886 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 120-122°C
• 闪点: >110°C

安全信息

• 保存注意事项: Irritant