The mechanism, kinetics and thermochemistry of the reaction of (CF 3 ) 2 C(OH)CH 3 with OH radicals are theoretically investigated using DFT based M06-2X functional method. Three important H-abstraction channels have been identified for (CF 3 ) 2 C(OH)CH 3 +OH reaction and one transition state has been located for each reaction channel. Formation of pre-reactive complex at the entry of each reaction channel indicates an indirect mechanism for hydrogen-abstraction reaction. The rate coefficients for (CF 3 ) 2 C(OH)CH 3 are evaluated using canonical transition state theory along with Eckart's tunneling correction over a wide range of temperature (270–1000K). At 298K, our calculated total rate coefficient for (CF 3 ) 2 C(OH)CH 3 +OH reaction is in good agreement with the experimental result. The results show that H-abstraction from the CH 3 group is the predominant channel and has more contribution to the total rate coefficient than that from the OH group of (CF 3 ) 2 C(OH)CH 3 . The standard heats of formation for (CF 3 ) 2 C(OH)CH 3 molecule, (CF 3 ) 2 C(OH)CH 2 and (CF 3 ) 2 C(O)CH 3 radicals are estimated by using group-balanced isodesmic reactions and the values are −1599.6, −1369.8 and −1335.6kJmol −1 , respectively at 298K. The atmospheric lifetime of (CF 3 ) 2 C(OH)CH 3 is estimated to be around 5.0 years. The 100-year time horizon global warming potentials of (CF 3 ) 2 C(OH)CH 3 with respect to CO 2 is 705. Potential atmospheric degradation routes for the resulting (CF 3 ) 2 C(OH)CH 2 radical is also discussed here.