3-Buten-2-one,4-amino-1,1,1-trifluoro- (184848-89-3)

The 4-Amino-1,1,1-trifluoro-3-buten-2-one, with the CAS registry number 184848-89-3, is also known as 3-Buten-2-one, 4-amino-1,1,1-trifluoro-, (3E)-. This chemical's molecular formula is C₄H₄F₃NO and molecular weight is 139.08. Its IUPAC name is called (E)-4-amino-1,1,1-trifluorobut-3-en-2-one.

Physical properties of 4-Amino-1,1,1-trifluoro-3-buten-2-one: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.001; (4)ACD/LogD (pH 7.4): 0.041; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.866; (8)ACD/KOC (pH 7.4): 25.059; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.384; (13)Molar Refractivity: 24.66 cm³; (14)Molar Volume: 105.366 cm³; (15)Surface Tension: 25.262 dyne/cm; (16)Density: 1.32 g/cm³; (17)Flash Point: 11.421 °C; (18)Enthalpy of Vaporization: 33.491 kJ/mol; (19)Boiling Point: 95.272 °C at 760 mmHg; (20)Vapour Pressure: 45.759 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=CN)C(=O)C(F)(F)F
(2)Isomeric SMILES: C(=C/N)\C(=O)C(F)(F)F
(3)InChI: InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1+
(4)InChIKey: DHJDPIHFALRNER-OWOJBTEDSA-N