Ethanone,1-(2,3,5-trifluorophenyl)- (243459-93-0)

The 2,3,5-Trifluoroacetophenone, with the cas registry number of 243459-93-0, has the systematic name of 1-(2,3,5-trifluorophenyl)ethanone. The molecular formula of the chemical is C₈H₅F₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.32; (6)ACD/BCF (pH 7.4): 8.32; (7)ACD/KOC (pH 5.5): 158.58; (8)ACD/KOC (pH 7.4): 158.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 36.26 cm³; (15)Molar Volume: 133.5 cm³; (16)Polarizability: 14.37×10^-24cm³; (17)Surface Tension: 30.4 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 67.1 °C; (20)Enthalpy of Vaporization: 42.95 kJ/mol; (21)Boiling Point: 193.3 °C at 760 mmHg; (22)Vapour Pressure: 0.468 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1c(C(=O)C)cc(F)cc1F
(2)InChI: InChI=1/C8H5F3O/c1-4(12)6-2-5(9)3-7(10)8(6)11/h2-3H,1H3
(3)InChIKey: ZCVPTIVXINDYGY-UHFFFAOYAB