2-(Trifluoromethyl)phenylacetylene (704-46-1)

The 2-(Trifluoromethyl)phenylacetylene, with cas registry number 704-46-1, has the systematic name of 1-ethynyl-2-(trifluoromethyl)benzene. And it is also named Benzene, 1-ethynyl-2-(trifluoromethyl)-. Its refractive index is 1.4760. What's more, this chemical is flammable, please be caution about it.

Physical properties about this chemical are: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 106.78; (6)ACD/BCF (pH 7.4): 106.78; (7)ACD/KOC (pH 5.5): 985.4; (8)ACD/KOC (pH 7.4): 985.4; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 38.8 cm³; (15)Molar Volume: 139.9 cm³; (16)Polarizability: 15.38×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Enthalpy of Vaporization: 38.79 kJ/mol; (19)Vapour Pressure: 2.18 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: FC(F)(F)c1ccccc1C#C
(2)InChI: InChI=1/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H
(3)InChIKey: OOZKONVIIMFOKW-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H
(5)Std. InChIKey: OOZKONVIIMFOKW-UHFFFAOYSA-N