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

• ChemBase编号: 12019
• 分子式: C11H3F19O5
• 平均质量: 576.1081808
• 单一同位素质量: 575.96770938
• SMILES: O=C(OC)C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(OC(C(OC(C(OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H3F19O5/c1-32-2(31)3(12,13)33-8(23,24)9(25,26)35-11(29,30)10(27,28)34-7(21,22)5(16,17)4(14,15)6(18,19)20/h1H3
• InChIKey: FMEDKXCQTKWGKE-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-(nonafluorobutoxy)ethoxy]ethoxy}acetate
• IUPAC传统名: methyl 2,2-difluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(nonafluorobutoxy)ethoxy]ethoxy}acetate
• 别名: Methyl perfluoro-3,6,9-trioxatridecanoate

登记号

• CAS号: 330562-42-0
• MDL号: MFCD03094451
• PubChem SID: 160975326
• PubChem CID: 2769352

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 7.404068
• LogD (pH = 7.4): 7.404068
• Log P: 7.404068
• 摩尔折射率: 64.2801 cm^3
• 极化性: 24.773596 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 73°C/10mm

安全信息

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

产品相关信息

• 纯度: 98%