A preliminary result for liquid crystalline formation of semifluorinated n-alkanes by a constant pressure molecular dynamics simulation using atomistic potential model has been reported. The system containing 256 molecules for semifluorinated n-alkanes was used. The change in the structure which was formed from an isotropic structure by cooling was investigated in this study. The systems studied formed layered structures spontaneously. Some of data on structure and density were found to be in concordance with that in experiments.