methyl 2,2,3,3-tetrafluoro-3-[(heptafluoropropan-2-yl)oxy]propanoate

• ChemBase编号: 98985
• 分子式: C7H3F11O3
• 平均质量: 344.0793552
• 单一同位素质量: 343.99065438
• SMILES: O(C(C(C(=O)OC)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
• Canonical SMILES: COC(=O)C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
• InChI: InChI=1S/C7H3F11O3/c1-20-2(19)3(8,9)7(17,18)21-4(10,5(11,12)13)6(14,15)16/h1H3
• InChIKey: ZIBMBDGKVCYGHR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3-tetrafluoro-3-[(heptafluoropropan-2-yl)oxy]propanoate
• IUPAC传统名: methyl 2,2,3,3-tetrafluoro-3-[(heptafluoropropan-2-yl)oxy]propanoate
• 别名: Methyl 3-(heptafluoroisopropoxy)tetrafluoropropionate; Methyl perfluoro-5-methyl-4-oxahexanoate 97+%

登记号

• CAS号: 51502-43-3
• PubChem SID: 162085290
• PubChem CID: 22420417

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.142193
• LogD (pH = 7.4): 4.142193
• Log P: 4.142193
• 摩尔折射率: 39.9063 cm^3
• 极化性: 15.46247 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant