ChemSpider 2D Image | (2S,3R)-2-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-3-phenylmorpholine | C20H19F6NO

(2S,3R)-2-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-3-phenylmorpholine

  • Molecular FormulaC20H19F6NO
  • Average mass403.361 Da
  • Monoisotopic mass403.137085 Da
  • ChemSpider ID23150268

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-2-{2-[3,5-Bis(trifluormethyl)phenyl]ethyl}-3-phenylmorpholin [German] [ACD/IUPAC Name]
(2S,3R)-2-{2-[3,5-Bis(trifluoromethyl)phenyl]ethyl}-3-phenylmorpholine [ACD/IUPAC Name]
(2S,3R)-2-{2-[3,5-Bis(trifluorométhyl)phényl]éthyl}-3-phénylmorpholine [French] [ACD/IUPAC Name]
Morpholine, 2-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-3-phenyl-, (2S,3R)- [ACD/Index Name]
(2S,3R)-2-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-3-phenyl-morpholine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292237/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 392.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.3±3.0 kJ/mol
Flash Point: 191.3±26.5 °C
Index of Refraction: 1.479
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 10.64
ACD/KOC (pH 5.5): 36.91
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 536.90
ACD/KOC (pH 7.4): 1862.28
Polar Surface Area: 21 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 323.0±3.0 cm3

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