ChemSpider 2D Image | [trans-1-Amino-3-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-3-phenylcyclobutyl](1-piperidinyl)methanone | C27H30F6N2O2

[trans-1-Amino-3-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-3-phenylcyclobutyl](1-piperidinyl)methanone

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID23272759

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[trans-1-Amino-3-({(1R)-1-[3,5-bis(trifluormethyl)phenyl]ethoxy}methyl)-3-phenylcyclobutyl](1-piperidinyl)methanon [German] [ACD/IUPAC Name]
[trans-1-Amino-3-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-3-phenylcyclobutyl](1-piperidinyl)methanone [ACD/IUPAC Name]
[trans-1-Amino-3-({(1R)-1-[3,5-bis(trifluorométhyl)phényl]éthoxy}méthyl)-3-phénylcyclobutyl](1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
[trans-1-amino-3-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-3-phenylcyclobutyl](piperidin-1-yl)methanone
Methanone, [trans-1-amino-3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-phenylcyclobutyl]-1-piperidinyl- [ACD/Index Name]
CHEMBL377242
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377242/
trans-3-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-1-amino-3-phenylcyclobutyl)(piperidin-1-yl)methanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.9±30.1 °C
Index of Refraction: 1.520
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 17.96
ACD/KOC (pH 5.5): 48.02
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 819.99
ACD/KOC (pH 7.4): 2192.42
Polar Surface Area: 56 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 413.3±3.0 cm3

Click to predict properties on the Chemicalize site


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