tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

• ChemBase编号: 100617
• 分子式: C14F26O3
• 平均质量: 710.1064832
• 单一同位素质量: 709.94322758
• SMILES: O(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14F26O3/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1(41)43-2(42)4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40
• InChIKey: NWDZSYHMBYNCRO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• IUPAC传统名: tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• 别名: Perfluoroheptanoic anhydride

登记号

• CAS号: 78225-99-7
• MDL号: MFCD00156011
• PubChem SID: 162086572
• PubChem CID: 2776124

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 8.958565
• LogD (pH = 7.4): 8.958565
• Log P: 8.958565
• 摩尔折射率: 70.7824 cm^3
• 极化性: 28.538847 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Corrosive/Moisture Sensitive