The propulsive characteristics of self-propelling 3D flexible foil are numerically studied. Two kinds of dynamic boundary techniques, namely the dynamic mesh technique and overlapping mesh technique, are used to realize the self-propulsion of flexible foil. The effects of aspect ratio (AR), characteristic thickness (d), and section shape on propulsive characteristics are numerically studied. Results demonstrate that the moving velocity increases monotonically with the consistent growth of AR, and a linear relationship is found between them. The peak value of propulsive efficiency can be acquired when AR = 1.0. Moreover, the growth of d shall produce a negative effect on moving velocity. It is suggested that the value of d should be smaller than 0.15 for the sake of acquiring high propulsive efficiency. As for the section shape effect, the foil with a rectangular shape presents the worst propulsive property, while the NACA0015 foil exhibits the best one. Furthermore, the typical vortex structures are also exhibited and analyzed. The conclusions acquired in this study are of great significance for designing a bionic underwater vehicle.