ChemSpider 2D Image | [(3S,4R)-3-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-phenyl-1-pyrrolidinyl](4-morpholinyl)methanone | C25H26F6N2O3

[(3S,4R)-3-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-phenyl-1-pyrrolidinyl](4-morpholinyl)methanone

  • Molecular FormulaC25H26F6N2O3
  • Average mass516.476 Da
  • Monoisotopic mass516.184753 Da
  • ChemSpider ID23309468

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3S,4R)-3-{(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}-4-phenyl-1-pyrrolidinyl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[(3S,4R)-3-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-phenyl-1-pyrrolidinyl](4-morpholinyl)methanone [ACD/IUPAC Name]
[(3S,4R)-3-{(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}-4-phényl-1-pyrrolidinyl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
[(3S,4R)-3-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-4-phenylpyrrolidin-1-yl](morpholin-4-yl)methanone
Methanone, [(3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-phenyl-1-pyrrolidinyl]-4-morpholinyl- [ACD/Index Name]
((3S,4R)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-phenylpyrrolidin-1-yl)(morpholino)methanone
CHEMBL399466
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399466/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.8±28.7 °C
Index of Refraction: 1.547
Molar Refractivity: 119.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3158.21
ACD/KOC (pH 5.5): 11129.98
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3158.21
ACD/KOC (pH 7.4): 11129.98
Polar Surface Area: 42 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 377.4±5.0 cm3

Click to predict properties on the Chemicalize site


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