2-(TRIFLUOROMETHOXY)BENZAMIDE

The Benzamide,2-(trifluoromethoxy)-, with CAS registry number 127979-74-2, has the systematic name of 2-(trifluoromethoxy)benzamide. Besides this, it is also called (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine. And the chemical formula of this chemical is C₈H₆F₃NO₂.

Physical properties of Benzamide,2-(trifluoromethoxy)-: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.52; (6)ACD/BCF (pH 7.4): 16.52; (7)ACD/KOC (pH 5.5): 259.13; (8)ACD/KOC (pH 7.4): 259.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.31 cm³; (15)Molar Volume: 148.5 cm³; (16)Polarizability: 16.77×10^-24cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.381 g/cm³; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 47.88 kJ/mol; (21)Boiling Point: 241.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0351 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzamide,2-(trifluoromethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1C(=O)N
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
(3)InChIKey: XXTXDVUAHROLBN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
(5)Std. InChIKey: XXTXDVUAHROLBN-UHFFFAOYSA-N