N-Methyl-2,2,2-trifluoroacetamide

The Acetamide,2,2,2-trifluoro-N-methyl-, with the CAS registry number 815-06-5, is also known as N-Methyltrifluoroacetamide. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS number is 212-417-7. This chemical's molecular formula is C₃H₄F₃NO and molecular weight is 127.06. What's more, its systematic name is 2,2,2-trifluoro-N-methylacetamide. It is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides and water.

Physical properties of Acetamide,2,2,2-trifluoro-N-methyl- are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.94; (8)ACD/KOC (pH 7.4): 28.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.322; (14)Molar Refractivity: 20.02 cm³; (15)Molar Volume: 100.3 cm³; (16)Polarizability: 7.94×10^-24cm³; (17)Surface Tension: 18.4 dyne/cm; (18)Density: 1.265 g/cm³; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 39.32 kJ/mol; (21)Boiling Point: 156.5 °C at 760 mmHg; (22)Vapour Pressure: 2.88 mmHg at 25°C.

Preparation: this chemical can be prepared by methylamine and trifluoroacetic acid ethyl ester at the ambient temperature. This reaction time is 16 hours. The yield is about 98%.

Uses of Acetamide,2,2,2-trifluoro-N-methyl-: it can be used to produce dichloro[methyl(trifluoroacetyl)amino]phosphine at the temperature of 20 °C. It will need reagents Et₃N, PCl₃ and solvent diethyl ether with the reaction time of 12 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=O)NC
(2)Std. InChI: InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
(3)Std. InChIKey: IQNHBUQSOSYAJU-UHFFFAOYSA-N