ChemSpider 2D Image | (1R,5S)-6-{5-[4-(Trifluoromethyl)phenyl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octane | C17H17F3N4

(1R,5S)-6-{5-[4-(Trifluoromethyl)phenyl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octane

  • Molecular FormulaC17H17F3N4
  • Average mass334.339 Da
  • Monoisotopic mass334.140533 Da
  • ChemSpider ID22834587

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-6-{5-[4-(Trifluormethyl)phenyl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,5S)-6-{5-[4-(Trifluoromethyl)phenyl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,5S)-6-{5-[4-(Trifluorométhyl)phényl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
6-Azabicyclo[3.2.1]octane, 6-[5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-, (1R,5S)- [ACD/Index Name]
(1R*,5S*)-6-{5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl}-6-azabicyclo[3.2.1]octane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 232.4±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 183.97
ACD/KOC (pH 5.5): 1433.25
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.61
ACD/KOC (pH 7.4): 1508.39
Polar Surface Area: 42 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 256.7±3.0 cm3

Click to predict properties on the Chemicalize site


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