2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetic acid

• ChemBase编号: 12108
• 分子式: C7HF13O5
• 平均质量: 412.0590816
• 单一同位素质量: 411.96163999
• SMILES: C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(=O)O)(F)F
• Canonical SMILES: OC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7HF13O5/c8-2(9,1(21)22)23-3(10,11)4(12,13)24-5(14,15)6(16,17)25-7(18,19)20/h(H,21,22)
• InChIKey: GNQWOKPKDHCUSB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetic acid
• IUPAC传统名: difluoro({1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy})acetic acid
• 别名: Perfluoro-3,6,9-trioxadecanoic acid

登记号

• CAS号: 151772-59-7
• MDL号: MFCD00156025
• PubChem SID: 160975415
• PubChem CID: 2778260

理论计算性质

• Acid pKa: -0.42819902
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.1146984
• LogD (pH = 7.4): 2.1129906
• Log P: 5.6424365
• 摩尔折射率: 40.7669 cm^3
• 极化性: 17.291597 Å^3
• 极化表面积: 64.99 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; Corrosive
• TSCA收录: false

产品相关信息

• 纯度: 98%