4'-Fluoro-2'-(trifluoromethyl)acetophenone

The Ethanone,1-[4-fluoro-2-(trifluoromethyl)phenyl]-, with CAS registry number 208173-21-1, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-[4-fluoro-2-(trifluoromethyl)phenyl]ethanone. And the chemical formula of this chemical is C₉H₆F₄O.

Physical properties of Ethanone,1-[4-fluoro-2-(trifluoromethyl)phenyl]-: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.51; (6)ACD/BCF (pH 7.4): 49.51; (7)ACD/KOC (pH 5.5): 568.42; (8)ACD/KOC (pH 7.4): 568.42; (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: 1.433; (14)Molar Refractivity: 41.25 cm³; (15)Molar Volume: 158.6 cm³; (16)Polarizability: 16.35×10^-24cm³; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 79.3 °C; (20)Enthalpy of Vaporization: 44.81 kJ/mol; (21)Boiling Point: 211.8 °C at 760 mmHg; (22)Vapour Pressure: 0.179 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-[4-fluoro-2-(trifluoromethyl)phenyl]- 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: O=C(c1c(cc(F)cc1)C(F)(F)F)C
(2)InChI: InChI=1/C9H6F4O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-4H,1H3
(3)InChIKey: WBCCAINPZLAKRN-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H6F4O/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-4H,1H3
(5)Std. InChIKey: WBCCAINPZLAKRN-UHFFFAOYSA-N