1-(4-(Trifluoromethyl)phenyl)-1H-pyrazole (207797-05-5)

The 1-(4-(Trifluoromethyl)phenyl)-1H-pyrazole with cas registry number of 207797-05-5, its systematic name is 1-[4-(trifluoromethyl)phenyl]-1H-pyrazole. And it is also named 1H-pyrazole, 1-[4-(trifluoromethyl)phenyl]-; 1-[4-(Trifluoromethyl)phenyl]-1H-pyrazole.

Physical properties about this chemical are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.91; (6)ACD/BCF (pH 7.4): 64.91; (7)ACD/KOC (pH 5.5): 690.04; (8)ACD/KOC (pH 7.4): 690.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 50.68 cm³; (15)Molar Volume: 166.1 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 33.6 dyne/cm; (18)Enthalpy of Vaporization: 45.8 kJ/mol; (19)Vapour Pressure: 0.0589 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:FC(F)(F)c1ccc(cc1)n2nccc2; (2)InChI:InChI=1/C10H7F3N2/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15/h1-7H; (3)InChIKey:JBIQISUWMZRLBB-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C10H7F3N2/c11-10(12,13)8-2-4-9(5-3-8)15-7-1-6-14-15/h1-7H; (5)Std. InChIKey:JBIQISUWMZRLBB-UHFFFAOYSA-N.