1,3-Butanedione,4,4,4-trifluoro-1-(4-pyridinyl)- (399-06-4)

The 4,4,4-Trifluoro-1-(pyridine-4-yl)butane-1,3-dione is an organic compound with the formula C₉H₆F₃NO₂. The IUPAC name of this chemical is 4,4,4-trifluoro-1-pyridin-4-ylbutane-1,3-dione. With the CAS registry number 399-06-4, it is also named as 1,3-Butanedione, 4,4,4-trifluoro-1-(4-pyridinyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 2.74 ; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 47.03Ų; (5)Index of Refraction: 1.461; (6)Molar Refractivity: 44.12 cm³; (7)Molar Volume: 160.7 cm³; (8)Polarizability: 17.49×10^-24cm³; (9)Surface Tension: 36.4 dyne/cm; (10)Density: 1.351 g/cm³; (11)Flash Point: 116.8 °C; (12)Enthalpy of Vaporization: 50.77 kJ/mol; (13)Boiling Point: 269.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00722 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccncc1)CC(=O)C(F)(F)F
(2)InChI: InChI=1/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-4H,5H2 
(3)InChIKey: VVFWWIMDNOGGLM-UHFFFAOYAH 
(4)Std. InChI: InChI=1S/C9H6F3NO2/c10-9(11,12)8(15)5-7(14)6-1-3-13-4-2-6/h1-4H,5H2 
(5)Std. InChIKey: VVFWWIMDNOGGLM-UHFFFAOYSA-N