2-Fluoro-4-trifluoromethylpyridine (118078-66-3)

The 2-Fluoro-4-trifluoromethylpyridine with the cas number 118078-66-3 is also called pyridine, 2-fluoro-4-(trifluoromethyl)-. Its molecular formula is C₆H₃F₄N. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP:1.25; (2)# of Rule of 5 Violations:0; (3)ACD/LogD (pH 5.5):1.25; (4)ACD/LogD (pH 7.4):1.25; (5)ACD/BCF (pH 5.5):5.25; (6)ACD/BCF (pH 7.4):5.25; (7)ACD/KOC (pH 5.5):114.07; (8)ACD/KOC (pH 7.4):114.07; (9)#H bond acceptors:1; (10)#H bond donors:0; (11)#Freely Rotating Bonds:0; (12)Polar Surface Area:12.89 Å²; (13)Index of Refraction:1.402; (14)Molar Refractivity:29.31 cm³; (15)Molar Volume:120.3 cm³; (16)Polarizability:11.62×10^-24cm³; (17)Surface Tension:23.7 dyne/cm; (18)Enthalpy of Vaporization:36.9 kJ/mol; (19)Vapour Pressure:5.48 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccnc(F)c1
(2)InChI: InChI=1/C6H3F4N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
(3)InChIKey: DFNQBXZKPUBEIX-UHFFFAOYAY