4'-N-Butyl-2,2,2-trifluoroacetophenone

The 4'-N-Butyl-2,2,2-trifluoroacetophenone is an organic compound with the formula C₁₂H₁₃F₃O. The systematic name of this chemical is 1-(4-butylphenyl)-2,2,2-trifluoroethanone. With the CAS registry number 40739-44-4, it is also named as Ethanone, 1-(4-butylphenyl)-2,2,2-trifluoro-.

Physical properties about 4'-N-Butyl-2,2,2-trifluoroacetophenone are: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 4.2; (3)ACD/LogD (pH 7.4): 4.2; (4)ACD/BCF (pH 5.5): 921.28; (5)ACD/BCF (pH 7.4): 921.28; (6)ACD/KOC (pH 5.5): 4608; (7)ACD/KOC (pH 7.4): 4608; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.459; (12)Molar Refractivity: 55.55 cm³; (13)Molar Volume: 203.1 cm³; (14)Polarizability: 22.02×10^-24cm³; (15)Surface Tension: 29.1 dyne/cm; (16)Density: 1.133 g/cm³; (17)Flash Point: 133.1 °C; (18)Enthalpy of Vaporization: 49.94 kJ/mol; (19)Boiling Point: 261.6 °C at 760 mmHg; (20)Vapour Pressure: 0.0114 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and may form explosive peroxides. Please keep away from sources of ignition - No smoking and take precautionary measures against static discharges. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and do not empty into drains. In case of 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: FC(F)(F)C(=O)c1ccc(cc1)CCCC
(2)InChI: InChI=1/C12H13F3O/c1-2-3-4-9-5-7-10(8-6-9)11(16)12(13,14)15/h5-8H,2-4H2,1H3
(3)InChIKey: XIVOMWSWGCFRNB-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C12H13F3O/c1-2-3-4-9-5-7-10(8-6-9)11(16)12(13,14)15/h5-8H,2-4H2,1H3
(5)Std. InChIKey: XIVOMWSWGCFRNB-UHFFFAOYSA-N