2-Thiophenemethanamine,a-(trifluoromethyl)- (65686-95-5)

The 2,2,2-Trifluoro-1-(thiophen-2-yl)ethanamine, with cas registry number 65686-95-5, has the systematic name of 2,2,2-trifluoro-1-(thiophen-2-yl)ethanamine. Besides this, it is also called 2-thiophenemethanamine, α-(trifluoromethyl)-. And the chemical formula of this chemical is C₆H₆F₃NS.

Physical properties about this chemical are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.61; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 9.78; (6)ACD/BCF (pH 7.4): 10.33; (7)ACD/KOC (pH 5.5): 175.33; (8)ACD/KOC (pH 7.4): 185.13; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 38.18 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 15.13×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Enthalpy of Vaporization: 44.52 kJ/mol; (19)Vapour Pressure: 0.209 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(N)c1sccc1
(2)InChI: InChI=1/C6H6F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
(3)InChIKey: AIMATLPOKDHHTR-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6H6F3NS/c7-6(8,9)5(10)4-2-1-3-11-4/h1-3,5H,10H2
(5)Std. InChIKey: AIMATLPOKDHHTR-UHFFFAOYSA-N