ChemSpider 2D Image | [4-(2,2,2-Trifluoroethyl)-1,4-diazepan-1-yl]{1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanone | C17H17F6N5O

[4-(2,2,2-Trifluoroethyl)-1,4-diazepan-1-yl]{1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanone

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID48159326

More details:

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

[4-(2,2,2-Trifluorethyl)-1,4-diazepan-1-yl]{1-[2-(trifluormethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanon [German] [ACD/IUPAC Name]
[4-(2,2,2-Trifluoroethyl)-1,4-diazepan-1-yl]{1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl}methanone [ACD/IUPAC Name]
[4-(2,2,2-Trifluoroéthyl)-1,4-diazépan-1-yl]{1-[2-(trifluorométhyl)phényl]-1H-1,2,3-triazol-4-yl}méthanone [French] [ACD/IUPAC Name]
Methanone, [hexahydro-4-(2,2,2-trifluoroethyl)-1H-1,4-diazepin-1-yl][1-[2-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 483.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 246.4±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 92.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.55
ACD/KOC (pH 5.5): 576.28
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.34
ACD/KOC (pH 7.4): 607.44
Polar Surface Area: 54 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 287.8±7.0 cm3

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