methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]acetate

• ChemBase编号: 12016
• 分子式: C9H3F15O4
• 平均质量: 460.093768
• 单一同位素质量: 459.97918188
• SMILES: C(C(=O)OC)(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=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/C9H3F15O4/c1-26-2(25)3(10,11)27-8(21,22)9(23,24)28-7(19,20)5(14,15)4(12,13)6(16,17)18/h1H3
• InChIKey: FBGFUFLXPSSLND-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-(nonafluorobutoxy)ethoxy]acetate
• IUPAC传统名: methyl 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]acetate
• 别名: Methyl perfluoro-3,6-dioxadecanoate; Methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(perfluorobutoxy)ethoxy)acetate

登记号

• CAS号: 129301-40-2
• MDL号: MFCD03094429
• PubChem SID: 160975323
• PubChem CID: 2769356

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 5.754766
• LogD (pH = 7.4): 5.754766
• Log P: 5.754766
• 摩尔折射率: 52.1064 cm^3
• 极化性: 20.115229 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

分子性质

安全信息

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

产品相关信息

• 纯度: 98%