4-Trifluoromethylpyrimidine (136547-16-5)

The 4-Trifluoromethylpyrimidine, with the CAS registry number 136547-16-5, is also known as Pyrimidine, 4-(trifluoromethyl)-. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₃F₃N₂ and molecular weight is 148.09. Its systematic name is called 4-(trifluoromethyl)pyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.11; (8)ACD/KOC (pH 7.4): 32.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.415; (13)Molar Refractivity: 27.41 cm³; (14)Molar Volume: 109.3 cm³; (15)Surface Tension: 28.5 dyne/cm; (16)Density: 1.353 g/cm³; (17)Flash Point: 37.2 °C; (18)Enthalpy of Vaporization: 35.97 kJ/mol; (19)Boiling Point: 137.9 °C at 760 mmHg; (20)Vapour Pressure: 8.58 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccncn1
(2)InChI: InChI=1/C5H3F3N2/c6-5(7,8)4-1-2-9-3-10-4/h1-3H
(3)InChIKey: BKDUWMJFLCNPKP-UHFFFAOYAP