ChemSpider 2D Image | Methyl (3R,4S)-4-[4-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylate | C13H14F3NO2

Methyl (3R,4S)-4-[4-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylate

  • Molecular FormulaC13H14F3NO2
  • Average mass273.251 Da
  • Monoisotopic mass273.097656 Da
  • ChemSpider ID24541273

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-[4-(Trifluorométhyl)phényl]-3-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-[4-(trifluoromethyl)phenyl]-, methyl ester, (3R,4S)- [ACD/Index Name]
Methyl (3R,4S)-4-[4-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-(3R,4S)-4-[4-(trifluormethyl)phenyl]-3-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1022224-85-6 [RN]
1212257-11-8 [RN]
methyl (4S,3R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
Trans-methyl 4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate
trans-methyl-4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 322.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.4±3.0 kJ/mol
Flash Point: 148.6±27.9 °C
Index of Refraction: 1.477
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 19.63
Polar Surface Area: 38 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 220.1±3.0 cm3

Click to predict properties on the Chemicalize site


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