3',4',5'-Trifluoroacetophenone

The Ethanone,1-(3,4,5-trifluorophenyl)-, with CAS registry number 220141-73-1, belongs to the following product category: ketone. It has the systematic name of 1-(3,4,5-trifluorophenyl)ethanone. Besides this, it is also called 3',4',5'-Trifluoroacetophenone. And the chemical formula of this chemical is C₈H₅F₃O.

Physical properties of Ethanone,1-(3,4,5-trifluorophenyl)-: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.29; (6)ACD/BCF (pH 7.4): 13.29; (7)ACD/KOC (pH 5.5): 221.75; (8)ACD/KOC (pH 7.4): 221.75; (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: 72.5 °C; (20)Enthalpy of Vaporization: 44.51 kJ/mol; (21)Boiling Point: 208.8 °C at 760 mmHg; (22)Vapour Pressure: 0.209 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(3,4,5-trifluorophenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C(=O)C)cc(F)c1F
(2)InChI: InChI=1/C8H5F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3
(3)InChIKey: KXVIYAHOUAMVJX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H5F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3
(5)Std. InChIKey: KXVIYAHOUAMVJX-UHFFFAOYSA-N