4,4,4-Trifluorocrotonamide

The 2-Butenamide, 4, 4, 4-trifluoro-, with the CAS registry number of 590-76-1, is also known as Crotonamide, 4, 4, 4-trifluoro- (8CI). This chemical's molecular formula is C₄H₄F₃NO and molecular weight is 139.08. What's more, its systematic name is called (2E)-4, 4, 4-Trifluorobut-2-enamide.

Physical properties about 2-Butenamide, 4, 4, 4-trifluoro- are: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4; (5)ACD/BCF (pH 5.5): 1.19; (6)ACD/BCF (pH 7.4): 1.19; (7)ACD/KOC (pH 5.5): 39.52; (8)ACD/KOC (pH 7.4): 39.52; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.384; (14)Molar Refractivity: 24.66 cm3; (15)Molar Volume: 105.3 cm³; (16)Surface Tension: 25.2 dyne/cm; (17)Density: 1.319 g/cm³; (18)Flash Point: 103.3 °C; (19)Enthalpy of Vaporization: 48.44 kJ/mol; (20)Boiling Point: 247.2 °C at 760 mmHg; (21)Vapour Pressure: 0.026 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of 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)/C=C/C(=O)N
(2) InChI: InChI=1/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1+
(3) InChIKey: UUJWVXVMQOGZID-OWOJBTEDBS