ChemSpider 2D Image | (2S,3S)-N-{[2-(Fluoromethoxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl](3-~3~H)phenyl]methyl}-2-phenyl-3-piperidinamine | C21H21TF4N6O

(2S,3S)-N-{[2-(Fluoromethoxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl](3-3H)phenyl]methyl}-2-phenyl-3-piperidinamine

  • Molecular FormulaC21H21TF4N6O
  • Average mass452.441 Da
  • Monoisotopic mass452.187347 Da
  • ChemSpider ID9639985

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-N-{[2-(Fluormethoxy)-5-[5-(trifluormethyl)-1H-tetrazol-1-yl](3-3H)phenyl]methyl}-2-phenyl-3-piperidinamin [German] [ACD/IUPAC Name]
(2S,3S)-N-{[2-(Fluoromethoxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl](3-3H)phenyl]methyl}-2-phenyl-3-piperidinamine [ACD/IUPAC Name]
(2S,3S)-N-{[2-(Fluorométhoxy)-5-[5-(trifluorométhyl)-1H-tétrazol-1-yl](3-3H)phényl]méthyl}-2-phényl-3-pipéridinamine [French] [ACD/IUPAC Name]
3-Piperidinamine, N-[[2-(fluoromethoxy)-5-[5-(trifluoromethyl)-1H-tetrazol-1-yl]phenyl-3-t]methyl]-2-phenyl-, (2S,3S)- [ACD/Index Name]

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

Density:
Boiling Point: 550.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 286.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.50
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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