Molecules with two fluorines at one carbon atom (CF2), as opposed to molecules with one fluorine at one carbon atom (CF) or three fluorines at one carbon atom (CF3), had not been considered in the prediction analysis of the last publication. The reason CF2 had not been a part of model building previously is that, although the CF3 motif displays a 19 F NMR signal which is a singlet, the case of molecules containing CF2 is more complex. In the prediction of CF2 containing molecules by ML and QM, we limit the data to those cases in which there is fast exchange with respect to the chemical shift difference between the fluorines in the NMR time scale so that the two fluorines are magnetically equivalent. However, this is not always the case even for the CF2H motif for which rapid internal rotation is expected. This results in 19 F NMR spectra with the two fluorines having different chemical shifts and appearing as doublets due to the splitting arising from the large two-bond 2 JFF scalar coupling constant. The relative intensities of the two components of each doublet will depend on the ratio of the chemical shift difference of the two doublets, expressed in Hz, divided by JFF. In the approaches described here, we are dealing with CF2 displaying only one single signal or two peaks very close to each other. This is also a pre-requisite for the averaging of equivalent fluorines in the QM workflow below.