ethyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[(heptafluoropropan-2-yl)oxy]propoxy}propoxy)propanoate

• ChemBase编号: 98988
• 分子式: C14H5F23O5
• 平均质量: 690.1497736
• 单一同位素质量: 689.97697232
• SMILES: O(C(C(=O)OCC)(C(F)(F)F)F)C(C(OC(C(OC(C(F)(F)F)(C(F)(F)F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: CCOC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C14H5F23O5/c1-2-39-3(38)4(15,8(19,20)21)40-13(34,35)7(18,12(31,32)33)42-14(36,37)6(17,11(28,29)30)41-5(16,9(22,23)24)10(25,26)27/h2H2,1H3
• InChIKey: XYGOQNSELKBBSL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[(heptafluoropropan-2-yl)oxy]propoxy}propoxy)propanoate
• IUPAC传统名: ethyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[(heptafluoropropan-2-yl)oxy]propoxy}propoxy)propanoate
• 别名: Ethyl perfluoro-2,5,8,10-tetramethyl-3,6,9-trioxaundecanoate

登记号

• PubChem SID: 162105209
• PubChem CID: 45075732

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 9.309076
• LogD (pH = 7.4): 9.309076
• Log P: 9.309076
• 摩尔折射率: 78.2591 cm^3
• 极化性: 30.186792 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant