ChemSpider 2D Image | 1-[(1-Allyl-1H-pyrazol-4-yl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane | C21H26F3N5

1-[(1-Allyl-1H-pyrazol-4-yl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane

  • Molecular FormulaC21H26F3N5
  • Average mass405.460 Da
  • Monoisotopic mass405.214020 Da
  • ChemSpider ID29523910

More details:

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

1,8-Diazaspiro[4.5]decane, 1-[[1-(2-propen-1-yl)-1H-pyrazol-4-yl]methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1-[(1-Allyl-1H-pyrazol-4-yl)methyl]-8-[5-(trifluormethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decan [German] [ACD/IUPAC Name]
1-[(1-Allyl-1H-pyrazol-4-yl)methyl]-8-[5-(trifluoromethyl)-2-pyridinyl]-1,8-diazaspiro[4.5]decane [ACD/IUPAC Name]
1-[(1-Allyl-1H-pyrazol-4-yl)méthyl]-8-[5-(trifluorométhyl)-2-pyridinyl]-1,8-diazaspiro[4.5]décane [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 516.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.2±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 107.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 15.59
ACD/KOC (pH 7.4): 103.84
Polar Surface Area: 37 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 316.8±7.0 cm3

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