ChemSpider 2D Image | 3-Amino-5-[(3,5-difluorophenyl)ethynyl]-2-thiophenecarbonitrile | C13H6F2N2S

3-Amino-5-[(3,5-difluorophenyl)ethynyl]-2-thiophenecarbonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID88052605

More details:

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

2-Thiophenecarbonitrile, 3-amino-5-[2-(3,5-difluorophenyl)ethynyl]- [ACD/Index Name]
3-Amino-5-[(3,5-difluorophenyl)ethynyl]-2-thiophenecarbonitrile [ACD/IUPAC Name]
3-Amino-5-[(3,5-difluorophényl)éthynyl]-2-thiophènecarbonitrile [French] [ACD/IUPAC Name]
3-Amino-5-[(3,5-difluorphenyl)ethinyl]-2-thiophencarbonitril [German] [ACD/IUPAC 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: 479.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 243.8±28.7 °C
Index of Refraction: 1.650
Molar Refractivity: 65.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.53
ACD/KOC (pH 5.5): 826.52
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.53
ACD/KOC (pH 7.4): 826.53
Polar Surface Area: 78 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 179.0±5.0 cm3

Click to predict properties on the Chemicalize site


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