2,3-Dimethyl-5-(trifluoromethyl)-1H-indole (81558-19-2)

The CAS register number of 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole is 81558-19-2. The systematic name about this chemical is 2,3-dimethyl-5-(trifluoromethyl)-1H-indole. The Molecular Formula about this chemical is C₁₁H₁₀F₃N.

Physical properties about 2,3-Dimethyl-5-(trifluoromethyl)-1H-indole are: (1)ACD/LogP: 3.63; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.63; (4)#H bond acceptors: 1; (5)#H bond donors: 1; (6)Polar Surface Area: 15.79Ų; (7)Index of Refraction: 1.545; (8)Molar Refractivity: 53.15 cm³; (9)Molar Volume: 167.9 cm³; (10)Polarizability: 21.07x10^-24cm³; (11)Surface Tension: 33.2 dyne/cm; (12)Enthalpy of Vaporization: 50.89 kJ/mol; (13)Boiling Point: 290.8 °C at 760 mmHg; (14)Vapour Pressure: 0.00353 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c([nH]c2c1cc(cc2)C(F)(F)F)C
(2)InChI: InChI=1/C11H10F3N/c1-6-7(2)15-10-4-3-8(5-9(6)10)11(12,13)14/h3-5,15H,1-2H3
(3)InChIKey: DGZNEPYFRHNSEX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H10F3N/c1-6-7(2)15-10-4-3-8(5-9(6)10)11(12,13)14/h3-5,15H,1-2H3
(5)Std. InChIKey: DGZNEPYFRHNSEX-UHFFFAOYSA-N