ChemSpider 2D Image | [5-(Difluoromethyl)-1-isopropyl-1H-1,2,3-triazol-4-yl]acetonitrile | C8H10F2N4

[5-(Difluoromethyl)-1-isopropyl-1H-1,2,3-triazol-4-yl]acetonitrile

  • Molecular FormulaC8H10F2N4
  • Average mass200.189 Da
  • Monoisotopic mass200.087357 Da
  • ChemSpider ID61175559

More details:

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

[5-(Difluormethyl)-1-isopropyl-1H-1,2,3-triazol-4-yl]acetonitril [German] [ACD/IUPAC Name]
[5-(Difluoromethyl)-1-isopropyl-1H-1,2,3-triazol-4-yl]acetonitrile [ACD/IUPAC Name]
[5-(Difluorométhyl)-1-isopropyl-1H-1,2,3-triazol-4-yl]acétonitrile [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-4-acetonitrile, 5-(difluoromethyl)-1-(1-methylethyl)- [ACD/Index Name]
1936199-50-6 [RN]
2-[5-(difluoromethyl)-1-(propan-2-yl)-1H-1,2,3-triazol-4-yl]acetonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 308.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 140.3±30.7 °C
Index of Refraction: 1.539
Molar Refractivity: 48.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 74.74
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 74.74
Polar Surface Area: 55 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 35.1±7.0 dyne/cm
Molar Volume: 153.9±7.0 cm3

Click to predict properties on the Chemicalize site


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