methyl 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoate

• ChemBase编号: 6665
• 分子式: C13H3F23O5
• 平均质量: 676.1231936
• 单一同位素质量: 675.96132226
• SMILES: O=C(C(OC(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)OC
• Canonical SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C13H3F23O5/c1-38-2(37)3(14,7(19,20)21)39-12(33,34)5(17,9(25,26)27)41-13(35,36)6(18,10(28,29)30)40-11(31,32)4(15,16)8(22,23)24/h1H3
• InChIKey: POFXNOHVAKKASZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoate
• IUPAC传统名: methyl 2,3,3,3-tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanoate
• 别名: HFPO tetramer, methyl ester; Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate 97%; Perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoic acid, methyl ester

登记号

• CAS号: 39187-47-8
• MDL号: MFCD00054724
• PubChem SID: 160969972
• PubChem CID: 142346

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 8.91554
• LogD (pH = 7.4): 8.91554
• Log P: 8.91554
• 摩尔折射率: 73.5369 cm^3
• 极化性: 28.606129 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 193-196°C
• 闪点: none°C
• 密度: 1.6; 1.600

安全信息

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

产品相关信息

• 纯度: 97%