ChemSpider 2D Image | (3S,4S)-4-Phenyl-1-{[3-(trifluoromethyl)cyclohexyl]carbonyl}-3-pyrrolidinecarboxylic acid | C19H22F3NO3

(3S,4S)-4-Phenyl-1-{[3-(trifluoromethyl)cyclohexyl]carbonyl}-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC19H22F3NO3
  • Average mass369.378 Da
  • Monoisotopic mass369.155182 Da
  • ChemSpider ID58081125

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,4S)-4-Phenyl-1-{[3-(trifluormethyl)cyclohexyl]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-4-Phenyl-1-{[3-(trifluoromethyl)cyclohexyl]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-phenyl-1-[[3-(trifluoromethyl)cyclohexyl]carbonyl]-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-4-phényl-1-{[3-(trifluorométhyl)cyclohexyl]carbonyl}-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 265.0±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 87.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 9.75
ACD/KOC (pH 5.5): 74.80
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.26
Polar Surface Area: 58 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 283.0±3.0 cm3

Click to predict properties on the Chemicalize site


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