The 6-Fluoro-1-tetralone, with the CAS registry number 703-67-3, is also known as 6-Fluoro-3,4-dihydro-2H-naphthalen-1-one. This chemical's molecular formula is C10H9FO and molecular weight is 164.18. Its systematic name is called 6-fluoro-3,4-dihydronaphthalen-1(2H)-one.
Physical properties of 6-Fluoro-1-tetralone: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 63; (6)ACD/BCF (pH 7.4): 63; (7)ACD/KOC (pH 5.5): 673; (8)ACD/KOC (pH 7.4): 673; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 43.163 cm3; (14)Molar Volume: 136.97 cm3; (15)Surface Tension: 40.303 dyne/cm; (16)Density: 1.199 g/cm3; (17)Flash Point: 102.34 °C; (18)Enthalpy of Vaporization: 50.765 kJ/mol; (19)Boiling Point: 269.514 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2C(=O)CCCc2c1
(2)InChI: InChI=1/C10H9FO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3H2
(3)InChIKey: NJYZZEHPEKDFEK-UHFFFAOYAL
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