ChemSpider 2D Image | 3,4-Difluoro-N-[(1-isobutyl-1H-1,2,4-triazol-5-yl)methyl]aniline | C13H16F2N4

3,4-Difluoro-N-[(1-isobutyl-1H-1,2,4-triazol-5-yl)methyl]aniline

  • Molecular FormulaC13H16F2N4
  • Average mass266.290 Da
  • Monoisotopic mass266.134308 Da
  • ChemSpider ID48935517

More details:

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

1H-1,2,4-Triazole-5-methanamine, N-(3,4-difluorophenyl)-1-(2-methylpropyl)- [ACD/Index Name]
3,4-Difluor-N-[(1-isobutyl-1H-1,2,4-triazol-5-yl)methyl]anilin [German] [ACD/IUPAC Name]
3,4-Difluoro-N-[(1-isobutyl-1H-1,2,4-triazol-5-yl)methyl]aniline [ACD/IUPAC Name]
3,4-Difluoro-N-[(1-isobutyl-1H-1,2,4-triazol-5-yl)méthyl]aniline [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 428.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 212.9±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.46
ACD/KOC (pH 5.5): 583.49
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 51.74
ACD/KOC (pH 7.4): 586.63
Polar Surface Area: 43 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 36.4±7.0 dyne/cm
Molar Volume: 213.9±7.0 cm3

Click to predict properties on the Chemicalize site


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