ChemSpider 2D Image | (3R,4S)-4-[2-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid | C12H12F3NO2

(3R,4S)-4-[2-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC12H12F3NO2
  • Average mass259.224 Da
  • Monoisotopic mass259.082001 Da
  • ChemSpider ID23500179

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-4-[2-(Trifluormethyl)phenyl]-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-4-[2-(Trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3R,4S)-4-[2-(Trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 4-[2-(trifluoromethyl)phenyl]-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-4-[2-(trifluorométhyl)phényl]-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R,4S)-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
1260611-20-8 [RN]
MFCD06659288
MFCD11226779
Trans-4-(2-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 369.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 177.4±27.9 °C
Index of Refraction: 1.501
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

Click to predict properties on the Chemicalize site


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