ChemSpider 2D Image | (3S,4S)-4-Cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid | C12H16F3NO3

(3S,4S)-4-Cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC12H16F3NO3
  • Average mass279.255 Da
  • Monoisotopic mass279.108215 Da
  • ChemSpider ID29445086

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-Cyclopropyl-1-(4,4,4-trifluorbutanoyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-4-Cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-cyclopropyl-1-(4,4,4-trifluoro-1-oxobutyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S*,4S*)-4-cyclopropyl-1-(4,4,4-trifluorobutanoyl)-3-pyrrolidinecarboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 402.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 197.1±28.7 °C
Index of Refraction: 1.502
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.06
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 199.6±3.0 cm3

Click to predict properties on the Chemicalize site


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