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| CAS No.: | 548771-68-2 |
|---|---|
| Name: | 5-Fluoro-2-tetralone |
| Molecular Structure: | |
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| Formula: | C10H9 F O |
| Molecular Weight: | 164.179 |
| Synonyms: | 5-Fluoro-2-tetralone;5-Fluoro-2-tetralone;5-fluoro-3 |
| Density: | 1.198g/cm3 |
| Boiling Point: | 273.2 °C at 760 mmHg |
| Flash Point: | 103.2 °C |
| PSA: | 17.07000 |
| LogP: | 1.88350 |
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- Total:25 Page 1 of 1 1
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Specification
The 5-Fluoro-2-tetralone with cas registry number of 548771-68-2, is also called 2(1H)-naphthalenone, 5-fluoro-3,4-dihydro- ; 5-Fluoro-3,4-dihydronaphthalen-2(1H)-one .
Physical properties of 5-Fluoro-2-tetralone : (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 13.22; (7)ACD/KOC (pH 5.5): 220.87; (8)ACD/KOC (pH 7.4): 220.87; (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: 1.542; (14)Molar Refractivity: 43.16 cm3; (15)Molar Volume: 136.9 cm3; (16)Polarizability: 17.11×10-24cm3; (17)Surface Tension: 40.3 dyne/cm; (18)Enthalpy of Vaporization: 51.15 kJ/mol; (19)Vapour Pressure: 0.00582 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:Fc1cccc2c1CCC(=O)C2; (2)InChI:InChI=1/C10H9FO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2; (3)InChIKey:DAHDFURQTOLYBB-UHFFFAOYAM; (4)Std. InChI:; (5)InChI=1S/C10H9FO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2; (6)Std. InChIKey:DAHDFURQTOLYBB-UHFFFAOYSA-N.