Hexafluorobisphenol A (6FBPA), as a novel nerve agents sensing molecule, has been successfully attached onto the surface of single-walled carbon nanotubes (SWNTs). The sensing groups have been confirmed by infrared spectroscopy, Raman spectroscopy and X-ray photoelectron spectrometry. The results revealed that the sensing groups had been successfully anchored on the surface of nanotubes. The quantitative determination of the functional groups has also been carried out through characterization by thermogravimetric analysis. Furthermore, the morphology of the resultant SWNT-6FBPA hybrids has been observed by transmission electron microscopy and scanning electron microscopy. Due to the existence of phenolic hydroxyl groups, which can form strong hydrogen-bonding with dimethyl methylphosphonate (DMMP) (simulant of nerve agent sarin), the functionalized SWNTs showed excellent sensitivity and selectivity while the sensing devices have been fabricated.