ChemSpider 2D Image | (1R,9S)-11-[4-(Trifluoromethyl)benzoyl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | C19H17F3N2O2

(1R,9S)-11-[4-(Trifluoromethyl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

  • Molecular FormulaC19H17F3N2O2
  • Average mass362.346 Da
  • Monoisotopic mass362.124207 Da
  • ChemSpider ID28466288

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3-(4-(Trifluoromethyl)benzoyl)-3,4,5,6-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-8(2H)-one
(1r,5s)-3-[4-(Trifluoromethyl)benzoyl]-1,2,3,4,5,6-Hexahydro-8h-1,5-Methanopyrido[1,2-A][1,5]diazocin-8-One
(1R,9S)-11-[4-(Trifluormethyl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-on [German] [ACD/IUPAC Name]
(1R,9S)-11-[4-(Trifluoromethyl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one [ACD/IUPAC Name]
(1R,9S)-11-[4-(Trifluorométhyl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-6-one [French] [ACD/IUPAC Name]
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[4-(trifluoromethyl)benzoyl]-, (1R,5S)- [ACD/Index Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 561.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.4±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.12
ACD/KOC (pH 5.5): 231.60
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.12
ACD/KOC (pH 7.4): 231.60
Polar Surface Area: 41 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 256.1±5.0 cm3

Click to predict properties on the Chemicalize site


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