Specification: |
The 2,2,2-Trifluoro-1-(pyridin-2-yl)ethanamine with cas registry number of 503173-14-6, is also called 2,2,2-trifluoro-1-(pyridin-2-yl)ethanamine dihydrochloride .
Physical properties of 2,2,2-Trifluoro-1-(pyridin-2-yl)ethanamine :(1)ACD/LogP: 0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.47; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 38.91 Å2; (9)Index of Refraction: 1.468; (10)Molar Refractivity: 37.88 cm3; (11)Molar Volume: 136.2 cm3; (12)Polarizability: 15.02×10-24cm3; (13)Surface Tension: 34 dyne/cm; (14)Enthalpy of Vaporization: 44.41 kJ/mol; (15)Vapour Pressure: 0.221 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:NC(c1ccccn1)C(F)(F)F; (2)InChI:InChI=1/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2; (3)InChIKey:SYBAWUSIVYUZIZ-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C7H7F3N2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h1-4,6H,11H2; (5)Std. InChIKey:SYBAWUSIVYUZIZ-UHFFFAOYSA-N.
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