ChemSpider 2D Image | Ethyl (3R,4S)-1-benzyl-4-(trifluoromethyl)-3-pyrrolidinecarboxylate | C15H18F3NO2

Ethyl (3R,4S)-1-benzyl-4-(trifluoromethyl)-3-pyrrolidinecarboxylate

  • Molecular FormulaC15H18F3NO2
  • Average mass301.304 Da
  • Monoisotopic mass301.128967 Da
  • ChemSpider ID58186724

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-Benzyl-4-(trifluorométhyl)-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-(phenylmethyl)-4-(trifluoromethyl)-, ethyl ester, (3R,4S)- [ACD/Index Name]
Ethyl (3R,4S)-1-benzyl-4-(trifluoromethyl)-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3R,4S)-1-benzyl-4-(trifluormethyl)-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(3R,4R)-ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
(3R,4S)-Ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
1283107-76-5 [RN]
1821740-14-0 [RN]
217096-03-2 [RN]
cis-Ethyl 1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 314.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 143.8±27.9 °C
Index of Refraction: 1.495
Molar Refractivity: 71.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 11.86
ACD/KOC (pH 5.5): 91.70
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 165.50
ACD/KOC (pH 7.4): 1280.03
Polar Surface Area: 30 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 245.3±3.0 cm3

Click to predict properties on the Chemicalize site


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