ChemSpider 2D Image | 1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinecarboxylic acid | C13H14F3NO2

1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC13H14F3NO2
  • Average mass273.251 Da
  • Monoisotopic mass273.097656 Da
  • ChemSpider ID22547543

More details:

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

1-[4-(Trifluormethyl)benzyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-[4-(Trifluoromethyl)benzyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[4-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
Acide 1-[4-(trifluorométhyl)benzyl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
1-(4-(Trifluoromethyl)benzyl)pyrrolidine-3-carboxylic acid
1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
1-[4-(Trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid
1086380-64-4 [RN]
1829030-07-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 349.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 165.0±27.9 °C
Index of Refraction: 1.523
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.14
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.04
Polar Surface Area: 41 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 203.8±3.0 cm3

Click to predict properties on the Chemicalize site


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