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

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

  • Molecular FormulaC13H14F3NO2
  • Average mass273.251 Da
  • Monoisotopic mass273.097656 Da
  • ChemSpider ID34499536

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[3-(Trifluormethyl)benzyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S)-1-[3-(Trifluoromethyl)benzyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[3-(trifluoromethyl)phenyl]methyl]-, (3S)- [ACD/Index Name]
Acide (3S)-1-[3-(trifluorométhyl)benzyl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S)-1-{[3-(trifluoromethyl)phenyl]methyl}pyrrolidine-3-carboxylic acid
1-[3-(Trifluoromethyl)benzyl]pyrrolidine-3-carboxylic acid
1086375-40-7 [RN]
MFCD09864938 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 340.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 159.6±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): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
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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