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Search term: PUAIVJQLMPIACX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-[(4-Amino-3,5-difluorophenyl)ethynyl]-3-thiophenecarbonitrile | C13H6F2N2S

4-[(4-Amino-3,5-difluorophenyl)ethynyl]-3-thiophenecarbonitrile

  • Molecular FormulaC13H6F2N2S
  • Average mass260.262 Da
  • Monoisotopic mass260.021973 Da
  • ChemSpider ID84166332

More details:

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

3-Thiophenecarbonitrile, 4-[2-(4-amino-3,5-difluorophenyl)ethynyl]- [ACD/Index Name]
4-[(4-Amino-3,5-difluorophenyl)ethynyl]-3-thiophenecarbonitrile [ACD/IUPAC Name]
4-[(4-Amino-3,5-difluorophényl)éthynyl]-3-thiophènecarbonitrile [French] [ACD/IUPAC Name]
4-[(4-Amino-3,5-difluorphenyl)ethinyl]-3-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: 434.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.3±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: 2.92
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.19
ACD/KOC (pH 5.5): 729.77
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.19
ACD/KOC (pH 7.4): 729.79
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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