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808144-34-5

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Basic Information
CAS No.: 808144-34-5
Name: 6,7,8-Trifluoro-2-tetralone
Molecular Structure:
Molecular Structure of 808144-34-5 (6,7,8-Trifluoro-2-tetralone)
Formula: C10H7F3O
Molecular Weight: 200.16
Synonyms: 6,7,8-trifluoro-2-tetralone;2(1H)-Naphthalenone,6,7,8-trifluoro-3,4-dihydro-(9CI);6,7,8-Trifluoro-3,4-dihydro-2(1H)-naphthalenone;8-trifluoro-3
Density: 1.377 g/cm3
Boiling Point: 259.213 °C at 760 mmHg
Flash Point: 103.024 °C
PSA: 17.07000
LogP: 2.16170
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Specification

This chemical is called 6,7,8-Trifluoro-2-tetralone, and it can also be named as 2(1H)-naphthalenone, 6,7,8-trifluoro-3,4-dihydro-. With the molecular formula of C10H7F3O, its molecular weight is 200.16. The CAS registry number of this chemical is 808144-34-5, and its product categories are Fluoro; Cyclohexane.

Other characteristics of the 6,7,8-Trifluoro-2-tetralone can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.493; (4)ACD/LogD (pH 7.4): 2.493; (5)ACD/BCF (pH 5.5): 46.169; (6)ACD/BCF (pH 7.4): 46.169; (7)ACD/KOC (pH 5.5): 540.699; (8)ACD/KOC (pH 7.4): 540.699; (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: 1.505; (14)Molar Refractivity: 43.151 cm3; (15)Molar Volume: 145.389 cm3; (16)Polarizability: 17.106×10-24cm3; (17)Surface Tension: 37.511 dyne/cm; (18)Density: 1.377 g/cm3; (19)Flash Point: 103.024 °C; (20)Enthalpy of Vaporization: 49.685 kJ/mol; (21)Boiling Point: 259.213 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25 °C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1c2c(c(c(c1F)F)F)CC(=O)CC2
2.InChI: InChI=1/C10H7F3O/c11-8-3-5-1-2-6(14)4-7(5)9(12)10(8)13/h3H,1-2,4H2
3.InChIKey: ZEPKQIMKMVIHDQ-UHFFFAOYAM