ChemSpider 2D Image | (2R)-3-[(2R)-4-(1-Cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1(2H)-quinoxalinyl]-1,1,1-trifluoro-2-propanol | C25H26F6N2O2

(2R)-3-[(2R)-4-(1-Cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1(2H)-quinoxalinyl]-1,1,1-trifluoro-2-propanol

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID76785777

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-3-[(2R)-4-(1-Cyclohexen-1-ylmethyl)-2-[3-(trifluormethoxy)phenyl]-3,4-dihydro-1(2H)-chinoxalinyl]-1,1,1-trifluor-2-propanol [German] [ACD/IUPAC Name]
(2R)-3-[(2R)-4-(1-Cyclohexen-1-ylmethyl)-2-[3-(trifluoromethoxy)phenyl]-3,4-dihydro-1(2H)-quinoxalinyl]-1,1,1-trifluoro-2-propanol [ACD/IUPAC Name]
(2R)-3-[(2R)-4-(1-Cyclohexén-1-ylméthyl)-2-[3-(trifluorométhoxy)phényl]-3,4-dihydro-1(2H)-quinoxalinyl]-1,1,1-trifluoro-2-propanol [French] [ACD/IUPAC Name]
1(2H)-Quinoxalineethanol, 4-(1-cyclohexen-1-ylmethyl)-3,4-dihydro-2-[3-(trifluoromethoxy)phenyl]-α-(trifluoromethyl)-, (αR,2R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 6544.15
ACD/KOC (pH 5.5): 12600.73
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 25501.02
ACD/KOC (pH 7.4): 49102.11
Polar Surface Area: 36 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 382.7±3.0 cm3

Click to predict properties on the Chemicalize site


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