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

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

  • Molecular FormulaC19H22F3NO3
  • Average mass369.378 Da
  • Monoisotopic mass369.155182 Da
  • ChemSpider ID64981332

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-4-Phenyl-1-{[1-(trifluormethyl)cyclohexyl]carbonyl}-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4R)-4-Phenyl-1-{[1-(trifluoromethyl)cyclohexyl]carbonyl}-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-phenyl-1-[[1-(trifluoromethyl)cyclohexyl]carbonyl]-, (3S,4R)- [ACD/Index Name]
Acide (3S,4R)-4-phényl-1-{[1-(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: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 18.12
ACD/KOC (pH 5.5): 113.03
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.95
Polar Surface Area: 58 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

Click to predict properties on the Chemicalize site


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