The H-abstraction reaction between methoxyflurane (CH₃OCF₂CHCl₂) and OH radical is studied by employing the DFT-based M06-2X/6-311++G(d,p) method along with kinetic calculations by using the transition state theory (TST) and Eckart’s tunneling correction. The H-abstraction from the –CHCl₂ group is found to be the most favorable reaction channel both kinetically and thermodynamically at lower temperature region. The rate coefficients for the title reaction are computed over a temperature range of 250–500 K and found to agree well with the available experimental values. Atmospheric lifetime, Radiative efficiency and Global Warming Potential (GWP) of CH₃OCF₂CHCl₂ are also reported to highlight its atmospheric impact.

利用基于DFT的M06-2X / 6-311 ++ G（d，p）方法研究了甲氧基氟烷（CH ₃ OCF ₂ CHCl ₂）与OH自由基之间的H-夺取反应，并通过跃迁进行了动力学计算。状态理论（TST）和Eckart的隧道校正。从–CHCl ₂基团中吸取H是在较低温度区域动力学和热力学上最有利的反应通道。在250–500 K的温度范围内计算出标题反应的速率系数，发现与可用的实验值非常吻合。CH ₃ OCF ₂ CHCl _2的大气寿命，辐射效率和全球升温潜能值（GWP） 也有报道强调其对大气的影响。