2,6-Difluoro-3-methoxybenzylamine (886498-50-6)

The 2,6-Difluoro-3-methoxybenzylamine, with cas registry number 886498-50-6, has the systematic name of 1-(2,6-difluoro-3-methoxyphenyl)methanamine. And it is also called Benzenemethanamine, 2,6-difluoro-3-methoxy-. And the chemical formula of this chemical is C₈H₉F₂NO.

Physical properties about this chemical are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.56; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.04; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 41.37 cm³; (15)Molar Volume: 141.8 cm³; (16)Polarizability: 16.4×10^-24cm³; (17)Surface Tension: 34.6 dyne/cm; (18)Enthalpy of Vaporization: 47.91 kJ/mol; (19)Vapour Pressure: 0.0345 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(F)ccc1OC)CN
(2)InChI: InChI=1/C8H9F2NO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,4,11H2,1H3
(3)InChIKey: TXUYEEPUVOCDCE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H9F2NO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,4,11H2,1H3
(5)Std. InChIKey: TXUYEEPUVOCDCE-UHFFFAOYSA-N