ChemSpider 2D Image | 14-(Trifluoroacetyl)-5,8,14-triazatetracyclo[10.3.1.0~2,11~.0~4,9~]hexadeca-2(11),3,7,9-tetraen-6-one | C15H12F3N3O2

14-(Trifluoroacetyl)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one

  • Molecular FormulaC15H12F3N3O2
  • Average mass323.270 Da
  • Monoisotopic mass323.088165 Da
  • ChemSpider ID29790251

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14-(2,2,2-Trifluoroacétyl)-5,8,14-triazatétracyclo[10.3.1.02,11.04,9]hexadéca-2(11),3,7,9-tétraén-6-one [French] [ACD/IUPAC Name]
14-(Trifluoracetyl)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-on [German] [ACD/IUPAC Name]
14-(Trifluoroacetyl)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,7,9-tetraen-6-one [ACD/IUPAC Name]
357426-10-9 [RN]
6,10-Methano-2H-azepino[4,5-g]quinoxalin-2-one, 1,6,7,8,9,10-hexahydro-8-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
1,6,7,8,9,10-Hexahydro-8-(trifluoroacetyl)-6,10-methano-2H-pyrazino[2,3-h][3]benzazepin-2-one
8-(Trifluoroacetyl)-1,6,7,8,9,10-hexahydro-2H-6,10-methanoazepino[4,5-g]quinoxalin-2-one
Hydroxy varenicline N-trifluoroacetate
Hydroxy Varenicline N-Trifluoroacetic Acid Salt

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 74.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 107.53
ACD/KOC (pH 5.5): 961.19
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 70.83
ACD/KOC (pH 7.4): 633.10
Polar Surface Area: 66 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 210.5±3.0 cm3

Click to predict properties on the Chemicalize site


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