ChemSpider 2D Image | 2-Methyl-2-propanyl 5-(4-fluorophenyl)-6H-thieno[2,3-b]pyrrole-6-carboxylate | C17H16FNO2S

2-Methyl-2-propanyl 5-(4-fluorophenyl)-6H-thieno[2,3-b]pyrrole-6-carboxylate

  • Molecular FormulaC17H16FNO2S
  • Average mass317.378 Da
  • Monoisotopic mass317.088562 Da
  • ChemSpider ID21159328

More details:

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

2-Methyl-2-propanyl 5-(4-fluorophenyl)-6H-thieno[2,3-b]pyrrole-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(4-fluorphenyl)-6H-thieno[2,3-b]pyrrol-6-carboxylat [German] [ACD/IUPAC Name]
5-(4-Fluorophényl)-6H-thiéno[2,3-b]pyrrole-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Thieno[2,3-b]pyrrole-6-carboxylic acid, 5-(4-fluorophenyl)-, 1,1-dimethylethyl ester [ACD/Index 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: 437.8±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.6±30.9 °C
Index of Refraction: 1.597
Molar Refractivity: 87.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4923.84
ACD/KOC (pH 5.5): 15294.79
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4923.84
ACD/KOC (pH 7.4): 15294.79
Polar Surface Area: 59 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 255.5±7.0 cm3

Click to predict properties on the Chemicalize site


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