CAS 85118-03-2: 2,5-difluorobenzamide

2,5-Difluorobenzamide

2,5-Difluorobenzamide is an organic compound with the chemical formula CHF. It is a white solid that is soluble in water, alcohols, and ethers. 2,5-Difluorobenzamide has been shown to be a stabilizer for hydrogen fluoride and deformation of benzonitrile. The crystal structure of 2,5-difluorobenzamide was determined by X-ray diffraction methods and found to have two conformations with different bond lengths. These conformers were then integrated into a single molecular structure by molecular dynamics simulations. The interaction between the two conformers was analyzed by quantum mechanics calculations with density functional theory (DFT) methods and found that the interactions are stronger than those present in other molecules.