ChemSpider 2D Image | Methyl N-(2,2,2-trifluoroethyl)-beta-alaninate | C6H10F3NO2

Methyl N-(2,2,2-trifluoroethyl)-β-alaninate

  • Molecular FormulaC6H10F3NO2
  • Average mass185.144 Da
  • Monoisotopic mass185.066360 Da
  • ChemSpider ID25992761

More details:

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

Methyl N-(2,2,2-trifluoroethyl)-β-alaninate [ACD/IUPAC Name]
Methyl-N-(2,2,2-trifluorethyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(2,2,2-Trifluoroéthyl)-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-(2,2,2-trifluoroethyl)-, methyl ester [ACD/Index Name]
1099610-40-8 [RN]
3-(2,2,2-Trifluoro-ethylamino)-propionic acid methyl ester
methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate
MFCD11651188 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 160.7±40.0 °C at 760 mmHg
Vapour Pressure: 2.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.7±3.0 kJ/mol
Flash Point: 51.0±27.3 °C
Index of Refraction: 1.374
Molar Refractivity: 35.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 2.90
ACD/KOC (pH 5.5): 74.34
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 75.17
Polar Surface Area: 38 Å2
Polarizability: 14.1±0.5 10-24cm3
Surface Tension: 24.4±3.0 dyne/cm
Molar Volume: 156.3±3.0 cm3

Click to predict properties on the Chemicalize site


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