ChemSpider 2D Image | 1-[(5-Chloro-1-benzofuran-2-yl)carbonyl]-3-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C15H11ClF3NO4

1-[(5-Chloro-1-benzofuran-2-yl)carbonyl]-3-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC15H11ClF3NO4
  • Average mass361.700 Da
  • Monoisotopic mass361.032867 Da
  • ChemSpider ID58059615

More details:

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

1-[(5-Chlor-1-benzofuran-2-yl)carbonyl]-3-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-[(5-Chloro-1-benzofuran-2-yl)carbonyl]-3-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[(5-chloro-2-benzofuranyl)carbonyl]-3-(trifluoromethyl)- [ACD/Index Name]
Acide 1-[(5-chloro-1-benzofuran-2-yl)carbonyl]-3-(trifluorométhyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 491.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 251.2±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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