5,7-Difluoro-2-tetralone (172366-38-0)

The 5,7-Difluoro-2-tetralone, with the cas registry number 172366-38-0, has the systematic name of 5,7-difluoro-3,4-dihydronaphthalen-2(1H)-one. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C₁₀H₈F₂O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.45; (6)ACD/BCF (pH 7.4): 15.45; (7)ACD/KOC (pH 5.5): 247.01; (8)ACD/KOC (pH 7.4): 247.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 43.15 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 17.1×10^-24cm³; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 99.4 °C; (20)Enthalpy of Vaporization: 49.83 kJ/mol; (21)Boiling Point: 260.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0121 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc(F)c2c(c1)CC(=O)CC2
(2)InChI: InChI=1/C10H8F2O/c11-7-3-6-4-8(13)1-2-9(6)10(12)5-7/h3,5H,1-2,4H2
(3)InChIKey: HOUVATQQKYAEBB-UHFFFAOYAK