5-[4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE

This chemical is called 1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-, and its systematic name is 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole. With the molecular formula of C₂₀H₁₀F₆N₂OS, its molecular weight is 440.36. The CAS registry number of this chemical is 256414-75-2. Additionally, it should be stored at the temperature of 2-8°C.

Other characteristics of the 1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- can be summarised as followings: (1)ACD/LogP: 8.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.37; (4)ACD/LogD (pH 7.4): 8.37; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 852538.75; (8)ACD/KOC (pH 7.4): 852538.75; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.16 Å²; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 96.85 cm³; (15)Molar Volume: 311 cm³; (16)Polarizability: 38.39×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.415 g/cm³; (19)Flash Point: 250.3 °C; (20)Enthalpy of Vaporization: 72.81 kJ/mol; (21)Boiling Point: 490.3 °C at 760 mmHg; (22)Vapour Pressure: 2.77E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
1.SMILES: FC(F)(F)c4cccc(c1noc(n1)c2sc(c(c2)c3ccccc3)C(F)(F)F)c4
2.InChI: InChI=1/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H 3.InChIKey: OYMNPJXKQVTQTR-UHFFFAOYAB