ChemSpider 2D Image | (2R,3S)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenylpiperidine | C20H19F6NO

(2R,3S)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenylpiperidine

  • Molecular FormulaC20H19F6NO
  • Average mass403.361 Da
  • Monoisotopic mass403.137085 Da
  • ChemSpider ID23174638

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-{[3,5-Bis(trifluormethyl)benzyl]oxy}-2-phenylpiperidin [German] [ACD/IUPAC Name]
(2R,3S)-3-{[3,5-bis(trifluoromethyl)benzyl]oxy}-2-phenylpiperidine [ACD/IUPAC Name]
(2R,3S)-3-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-2-phénylpipéridine [French] [ACD/IUPAC Name]
piperidine, 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-, (2R,3S)- [ACD/Index Name]
(2R,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL315532/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 383.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.7±27.9 °C
Index of Refraction: 1.515
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 15.10
ACD/KOC (pH 5.5): 39.35
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 591.34
ACD/KOC (pH 7.4): 1541.51
Polar Surface Area: 21 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 307.1±5.0 cm3

Click to predict properties on the Chemicalize site


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