methyl 2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetate

• ChemBase编号: 12018
• 分子式: C8H3F13O5
• 平均质量: 426.0856616
• 单一同位素质量: 425.97729006
• SMILES: O=C(OC)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(OC(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F13O5/c1-23-2(22)3(9,10)24-4(11,12)5(13,14)25-6(15,16)7(17,18)26-8(19,20)21/h1H3
• InChIKey: USFGKFMVGHXGNG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetate
• IUPAC传统名: methyl 2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetate
• 别名: Methyl perfluoro-3,6,9-trioxadecanoate; Methyl perfluoro-3,6,9-trioxadecanoate 98%

登记号

• CAS号: 169289-58-1
• MDL号: MFCD00368199
• PubChem SID: 160975325
• PubChem CID: 2769358

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.7883306
• LogD (pH = 7.4): 5.7883306
• Log P: 5.7883306
• 摩尔折射率: 45.536 cm^3
• 极化性: 19.040245 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 150°C

安全信息

• 保存注意事项: Flammable; IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 98%