ChemSpider 2D Image | {5-[(2,5-Difluorophenyl)ethynyl]-1,3-thiazol-2-yl}acetonitrile | C13H6F2N2S

{5-[(2,5-Difluorophenyl)ethynyl]-1,3-thiazol-2-yl}acetonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID85423473

More details:

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

{5-[(2,5-Difluorophenyl)ethynyl]-1,3-thiazol-2-yl}acetonitrile [ACD/IUPAC Name]
{5-[(2,5-Difluorophényl)éthynyl]-1,3-thiazol-2-yl}acétonitrile [French] [ACD/IUPAC Name]
{5-[(2,5-Difluorphenyl)ethinyl]-1,3-thiazol-2-yl}acetonitril [German] [ACD/IUPAC Name]
2-Thiazoleacetonitrile, 5-[2-(2,5-difluorophenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 416.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.6±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 64.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.67
ACD/KOC (pH 5.5): 718.36
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.67
ACD/KOC (pH 7.4): 718.37
Polar Surface Area: 65 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 184.9±5.0 cm3

Click to predict properties on the Chemicalize site


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