ChemSpider 2D Image | (3S)-3-Amino-4,4,4-trifluorobutanamide | C4H7F3N2O

(3S)-3-Amino-4,4,4-trifluorobutanamide

  • Molecular FormulaC4H7F3N2O
  • Average mass156.106 Da
  • Monoisotopic mass156.051041 Da
  • ChemSpider ID45626874

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Amino-4,4,4-trifluorbutanamid [German] [ACD/IUPAC Name]
(3S)-3-Amino-4,4,4-trifluorobutanamide [ACD/IUPAC Name]
(3S)-3-Amino-4,4,4-trifluorobutanamide [French] [ACD/IUPAC Name]
Butanamide, 3-amino-4,4,4-trifluoro-, (3S)- [ACD/Index Name]
1786471-96-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 221.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.8±3.0 kJ/mol
Flash Point: 87.6±27.3 °C
Index of Refraction: 1.400
Molar Refractivity: 28.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.02
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.90
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.25
Polar Surface Area: 69 Å2
Polarizability: 11.1±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 115.8±3.0 cm3

Click to predict properties on the Chemicalize site


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