ChemSpider 2D Image | (1S,2R,3S)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentanamine | C20H19F6NO

(1S,2R,3S)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentanamine

  • Molecular FormulaC20H19F6NO
  • Average mass403.361 Da
  • Monoisotopic mass403.137085 Da
  • ChemSpider ID23274818

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R,3S)-3-{[3,5-Bis(trifluormethyl)benzyl]oxy}-2-phenylcyclopentanamin [German] [ACD/IUPAC Name]
(1S,2R,3S)-3-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-2-phenylcyclopentanamine [ACD/IUPAC Name]
(1S,2R,3S)-3-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-2-phénylcyclopentanamine [French] [ACD/IUPAC Name]
Cyclopentanamine, 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-, (1S,2R,3S)- [ACD/Index Name]
(±)-cis-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentanamine
CHEMBL384796
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384796/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.5±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.38
ACD/KOC (pH 5.5): 11.07
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 13.07
ACD/KOC (pH 7.4): 42.77
Polar Surface Area: 35 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

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