This study investigates the diffusion characteristics and optimization of borehole water injection in the 3# coal seam of Licun Coal Mine under mining influence. The distribution of stress and permeability ahead of working face using FLAC3D combined COMSOL Multiphysics. The influence of distances between the borehole along with the diameters of the boreholes on the stress distribution around the borehole is studied. Additionally, the diffusion characteristics of coal seam water injection are analyzed under various parameters. The study found that borehole proximity to the working face significantly enhances stress relief and permeability, while borehole diameter has a minor impact. Simulation results from COMSOL Multiphysics indicated that increasing injection pressure significantly improves seepage velocity and wetting range, though borehole diameter effects remain negligible. Optimal water injection parameters were identified, suggesting that the most effective water injection occurs at a borehole 3 m from the working face, with a diameter of 0.11 m and an injection pressure of 10 MPa, achieving saturation within 48 h. This research contributes to the theoretical and practical understanding of optimizing borehole water injection in complex geological settings and thick coal seams.