ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

• ChemBase编号: 8260
• 分子式: C7H5F9O2
• 平均质量: 292.0990288
• 单一同位素质量: 292.01458338
• SMILES: C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: CCOC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7H5F9O2/c1-2-18-3(17)4(8,9)5(10,11)6(12,13)7(14,15)16/h2H2,1H3
• InChIKey: JBEYNXOZKKQLOH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• IUPAC传统名: ethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• 别名: Ethyl perfluoropentanoate; Ethyl perfluoropentanoate 98%

登记号

• CAS号: 424-36-2
• MDL号: MFCD00077523
• PubChem SID: 160971567
• PubChem CID: 526456

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.513613
• LogD (pH = 7.4): 3.513613
• Log P: 3.513613
• 摩尔折射率: 37.1756 cm^3
• 极化性: 14.334439 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 121°C

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%