4-HYDROXY-2-(TRIFLUOROMETHYL)QUINOLINE

The 4-Quinolinol,2-(trifluoromethyl)-, with CAS registry number 1701-18-4, has the systematic name of 2-(trifluoromethyl)quinolin-4(1H)-one. Besides this, it is also called 4-Hydroxy-2-(trifluoromethyl)quinoline. And the chemical formula of this chemical is C₁₀H₆F₃NO.

Physical properties of 4-Quinolinol,2-(trifluoromethyl)-: (1)ACD/LogP: 4.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.3; (5)ACD/BCF (pH 5.5): 473.53; (6)ACD/BCF (pH 7.4): 133.74; (7)ACD/KOC (pH 5.5): 2732.55; (8)ACD/KOC (pH 7.4): 771.76; (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: 1.516; (14)Molar Refractivity: 46.29 cm³; (15)Molar Volume: 153.1 cm³; (16)Polarizability: 18.35×10^-24cm³; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.391 g/cm³; (19)Flash Point: 87.4 °C; (20)Enthalpy of Vaporization: 45.73 kJ/mol; (21)Boiling Point: 220.8 °C at 760 mmHg; (22)Vapour Pressure: 0.111 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-Quinolinol,2-(trifluoromethyl)- 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)C\2=C\C(=O)c1c(cccc1)N/2
(2)InChI: InChI=1/C10H6F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15)
(3)InChIKey: SUNAMHNJYSQUPL-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H6F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-5H,(H,14,15)
(5)Std. InChIKey: SUNAMHNJYSQUPL-UHFFFAOYSA-N