ChemSpider 2D Image | 1-[2-Fluoro-3-(trifluoromethyl)benzoyl]-2-pyrrolidinecarbothioamide | C13H12F4N2OS

1-[2-Fluoro-3-(trifluoromethyl)benzoyl]-2-pyrrolidinecarbothioamide

  • Molecular FormulaC13H12F4N2OS
  • Average mass320.306 Da
  • Monoisotopic mass320.060638 Da
  • ChemSpider ID35607296

More details:

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

1-[2-Fluor-3-(trifluormethyl)benzoyl]-2-pyrrolidincarbothioamid [German] [ACD/IUPAC Name]
1-[2-Fluoro-3-(trifluoromethyl)benzoyl]-2-pyrrolidinecarbothioamide [ACD/IUPAC Name]
1-[2-Fluoro-3-(trifluorométhyl)benzoyl]-2-pyrrolidinecarbothioamide [French] [ACD/IUPAC Name]
2-Pyrrolidinecarbothioamide, 1-[2-fluoro-3-(trifluoromethyl)benzoyl]- [ACD/Index 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: 445.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.3±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.11
ACD/KOC (pH 5.5): 195.01
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.11
ACD/KOC (pH 7.4): 195.02
Polar Surface Area: 78 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 220.8±3.0 cm3

Click to predict properties on the Chemicalize site


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