2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine (158388-49-9)

The 2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine, with the CAS registry number 158388-49-9, is also called Benzenemethanamine, α,4-bis(trifluoromethyl)-. It belongs to the product categories of Amines and Anilines. And the molecular formula of the chemical is C₉H₇F₆N.

The characteristics of 2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethylamine are as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.53; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.02 Å²; (9)Index of Refraction: 1.42; (10)Molar Refractivity: 44.77 cm³; (11)Molar Volume: 176.5 cm³; (12)Polarizability: 17.75×10^-24cm³; (13)Surface Tension: 24.3 dyne/cm; (14)Density: 1.377 g/cm³; (15)Flash Point: 92.2 °C; (16)Enthalpy of Vaporization: 45.28 kJ/mol; (17)Boiling Point: 216.4 °C at 760 mmHg; (18)Vapour Pressure: 0.14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cc(ccc1C(C(F)(F)F)N)C(F)(F)F
(2)InChI: InChI=1/C9H7F6N/c10-8(11,12)6-3-1-5(2-4-6)7(16)9(13,14)15/h1-4,7H,16H2
(3)InChIKey: MSVVDWREITXLOD-UHFFFAOYAP