2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]acetyl fluoride

• ChemBase编号: 100867
• 分子式: C8F16O3
• 平均质量: 448.0582512
• 单一同位素质量: 447.95919538
• SMILES: O(C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)C(F)(F)C(OC(C(=O)F)(F)F)(F)F
• Canonical SMILES: FC(=O)C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F16O3/c9-1(25)2(10,11)26-7(21,22)8(23,24)27-6(19,20)4(14,15)3(12,13)5(16,17)18
• InChIKey: JKKXNKBRXVZRAQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]acetyl fluoride
• IUPAC传统名: 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]acetyl fluoride
• 别名: Perfluorobutoxyethoxyacetyl fluoride 98%

登记号

• CAS号: 172897-75-5
• MDL号: MFCD08458176
• PubChem SID: 162086658
• PubChem CID: 15790442

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.8546124
• LogD (pH = 7.4): 5.8546124
• Log P: 5.8546124
• 摩尔折射率: 46.5608 cm^3
• 极化性: 17.903315 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Corrosive