bis(2,2,2-trifluoroethyl) ethylphosphonate

• ChemBase编号: 162430
• 分子式: C6H9F6O3P
• 平均质量: 274.0980402
• 单一同位素质量: 274.0193501
• SMILES: P(=O)(OCC(F)(F)F)(OCC(F)(F)F)CC
• Canonical SMILES: CCP(=O)(OCC(F)(F)F)OCC(F)(F)F
• InChI: InChI=1S/C6H9F6O3P/c1-2-16(13,14-3-5(7,8)9)15-4-6(10,11)12/h2-4H2,1H3
• InChIKey: LIKKZVFVRKNSHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(2,2,2-trifluoroethyl) ethylphosphonate
• IUPAC传统名: bis(2,2,2-trifluoroethyl) ethylphosphonate
• 别名: Ethyl-phosphonic Acid Bis(2,2,2-trifluoroethyl) Ester; Bis-trifluoromethyl Ethylphosphonate

登记号

• CAS号: 650-16-8
• PubChem SID: 162256565
• PubChem CID: 4574247

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.1584885
• LogD (pH = 7.4): 2.1584885
• Log P: 2.1584885
• 摩尔折射率: 41.9152 cm^3
• 极化性: 16.26579 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

理化性质

• 溶解度: Chloroform; Dichloromethane
• 外观: Light Yellow Liquid