trifluoroethyl radical

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: trifluoroethyl radical
• 化学式: C₂H₂F₃
• 分子量: 83.0331
• InChiKey: BLSZMMVLDJOCAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,1,2-三氟乙烷 在 氯 作用下， 生成 trifluoroethyl radical
  参考文献：
  名称：

  Reactions of ground state chlorine atoms with fluorinated methanes and ethanes

  摘要：

  The reactions of photochemically generated Cl(2PJ) atoms with a number of fluorohydrocarbons have been investigated in the temperature range 8–95 °C by the competitive photochlorination technique using CH4 as a primary standard. Relative and absolute rate parameters are reported for CH3F, CH2F2, CH3CH2F, CH2FCH2F, CH3CHF2, CH3CF3, CH2FCHF2, CHF2CHF2, and several auxiliary reactions including CH3Cl, C2H6, and C3H8. The internal competition for hydrogen abstraction in asymmetric fluorethanes is examined in detail. The reactivity trends are discussed and it is found that the activation energies in the fluoromethane series correlate with the known C–H bond dissociation energies. The hydrogen reactivity in the fluoroethane series for which a sufficient data base of DH°(C–H) values is not available is best rationalized in terms of inductive effects and resonance interactions.

  DOI：

  10.1063/1.448737