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

• ChemBase编号: 8229
• 分子式: C9H5F13O2
• 平均质量: 392.1140416
• 单一同位素质量: 392.00819626
• SMILES: C(C(C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: CCOC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C9H5F13O2/c1-2-24-3(23)4(10,11)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h2H2,1H3
• InChIKey: ZESCSNXJAROIJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• IUPAC传统名: ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• 别名: Ethyl perfluoroheptanoate; Ethyl tridecafluoroheptanoate; Ethyl perfluoroheptanoate 98%

登记号

• CAS号: 41430-70-0
• MDL号: MFCD00039242
• PubChem SID: 160971536
• PubChem CID: 526468

理论计算性质

• 极化性: 18.132097 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.9148984
• LogD (pH = 7.4): 4.9148984
• Log P: 4.9148984
• 摩尔折射率: 46.5116 cm^3

分子性质

安全信息

• 保存注意事项: FLAMMABLE; Flammable
• TSCA收录: false

产品相关信息

• 纯度: 98%