N-Methyl-1-[3,5-bis(trifluoomethyl)phenyl]ethylamine (290297-43-7)

The N-Methyl-1-[3,5-bis(trifluoomethyl)phenyl]ethylamine is an organic compound with the formula C₁₁H₁₁F₆N. The systematic name of this chemical is 1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine. With the CAS registry number 290297-43-7, it is also named as benzenemethanamine, α-ethyl-3,5-bis(trifluoromethyl)-.

Physical properties about N-Methyl-1-[3,5-bis(trifluoomethyl)phenyl]ethylamine are: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 0.42; (3)ACD/LogD (pH 7.4): 1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 5.02; (6)ACD/KOC (pH 5.5): 1.79; (7)ACD/KOC (pH 7.4): 37.58; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.02 Å²; (12)Index of Refraction: 1.426; (13)Molar Refractivity: 53.93 cm³; (14)Molar Volume: 210.2 cm³; (15)Polarizability: 21.38×10^-24cm³; (16)Surface Tension: 24.1 dyne/cm; (17)Density: 1.29 g/cm³; (18)Flash Point: 78.5 °C; (19)Enthalpy of Vaporization: 42.72 kJ/mol; (20)Boiling Point: 191 °C at 760 mmHg; (21)Vapour Pressure: 0.527 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(N)CC
(2)InChI: InChI=1/C11H11F6N/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9H,2,18H2,1H3 CopyCopied ; (3)InChIKey: JDBPNFXZESJTAH-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H11F6N/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,9H,2,18H2,1H3
(5)Std. InChIKey: JDBPNFXZESJTAH-UHFFFAOYSA-N