Heat pumps have the potential for several applications across various industrial sectors, showcasing significant promise, especially in sectors such as pulp and paper, food and beverage, chemical, non-metallic minerals, and machinery. Envisioning the near future, there is confidence that heat pumps can achieve temperatures above 200 °C, offering substantial potential for utilization in these sectors. Nevertheless, a crucial aspect for the advancement of high-temperature heat pumps is the selection of the fluid. Fluid selection involves considerations of both thermodynamic efficiency and environmental impact, requiring fluids with zero ODP, negligible GWP, and no PFAS. Moreover, it is essential to consider the risks to human health associated with a specific fluid. Despite extensive research, particularly in the realm of vapour compression heat pumps, choosing the most suitable working fluid for these applications is a complex undertaking. Therefore, this paper conducts a theoretical analysis to evaluate potential fluids with suitable thermodynamic properties for high-temperature heat pumps (HTHPs). The comparative results gleaned from this study provide valuable insights for the comprehensive analysis of fluids, showing promise within temperature ranges dictated by specific applications. The metrics employed in the comparison emphasise the merits of fluids in terms of the overall performance, dimensions, and operating ranges of applicable compressor, heat exchange capacity, transport properties, and safety. One noteworthy finding from the analysis is that maintaining a constant HTHP lift (at 40 K) results in having the highest COP across all fluids when the condensing temperature ranges between 85% and 90% of their respective critical temperatures. According to the results of the analysis, natural fluids, including water and alcohols like ethanol or methanol, emerge as particularly compelling candidates.