ChemSpider 2D Image | acynonapyr | C24H26F6N2O3

acynonapyr

  • Molecular FormulaC24H26F6N2O3
  • Average mass504.465 Da
  • Monoisotopic mass504.184753 Da
  • ChemSpider ID58828732

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3r,5S)-3-[2-Propoxy-4-(trifluoromethyl)phenoxy]-9-{[5-(trifluoromethyl)pyridin-2-yl]oxy}-9-azabicyclo[3.3.1]nonane [ACD/IUPAC Name]
(3-endo)-3-[2-Propoxy-4-(trifluormethyl)phenoxy]-9-{[5-(trifluormethyl)-2-pyridinyl]oxy}-9-azabicyclo[3.3.1]nonan [German] [ACD/IUPAC Name]
(3-endo)-3-[2-Propoxy-4-(trifluoromethyl)phenoxy]-9-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-9-azabicyclo[3.3.1]nonane [ACD/IUPAC Name]
(3-endo)-3-[2-Propoxy-4-(trifluorométhyl)phénoxy]-9-{[5-(trifluorométhyl)-2-pyridinyl]oxy}-9-azabicyclo[3.3.1]nonane [French] [ACD/IUPAC Name]
1332838-17-1 [RN]
9-Azabicyclo[3.3.1]nonane, 3-[2-propoxy-4-(trifluoromethyl)phenoxy]-9-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-, (3-endo) [ACD/Index Name]
acynonapyr
T67 A ANTJ HOR BO3 DXFFF& AO- BT6NJ EXFFF &&3-endo form [WLN]
(1S,5R)-3-[2-propoxy-4-(trifluoromethyl)phenoxy]-9-[5-(trifluoromethyl)pyridin-2-yl]oxy-9-azabicyclo[3.3.1]nonane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±32.9 °C
Index of Refraction: 1.505
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.83
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 34374.27
ACD/KOC (pH 5.5): 55963.06
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47573.78
ACD/KOC (pH 7.4): 77452.55
Polar Surface Area: 44 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 388.0±3.0 cm3

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