ChemSpider 2D Image | (3'S,5'S)-5'-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-5'-phenyl-1,3'-bipyrrolidin-2'-one | C25H26F6N2O2

(3'S,5'S)-5'-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-5'-phenyl-1,3'-bipyrrolidin-2'-one

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID23329009

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3'S,5'S)-5'-({(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}methyl)-5'-phenyl-1,3'-bipyrrolidin-2'-on [German] [ACD/IUPAC Name]
(3'S,5'S)-5'-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-5'-phenyl-1,3'-bipyrrolidin-2'-one [ACD/IUPAC Name]
(3'S,5'S)-5'-({(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}méthyl)-5'-phényl-1,3'-bipyrrolidin-2'-one [French] [ACD/IUPAC Name]
[1,3'-Bipyrrolidin]-2'-one, 5'-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5'-phenyl-, (3'S,5'S)- [ACD/Index Name]
(3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-5-phenyl-3-(pyrrolidin-1-yl)pyrrolidin-2-one
CHEMBL460890
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460890/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.8±30.1 °C
Index of Refraction: 1.515
Molar Refractivity: 116.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 15.19
ACD/KOC (pH 5.5): 62.14
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 692.12
ACD/KOC (pH 7.4): 2832.11
Polar Surface Area: 42 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 386.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement