ChemSpider 2D Image | tert-butyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indole-1-carboxylate | C15H16F3NO3

tert-butyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indole-1-carboxylate

  • Molecular FormulaC15H16F3NO3
  • Average mass315.288 Da
  • Monoisotopic mass315.108215 Da
  • ChemSpider ID28540132

More details:

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

1402148-97-3 [RN]
1H-Indole-1-carboxylic acid, 2-(2,2,2-trifluoro-1-hydroxyethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(2,2,2-Trifluoro-1-hydroxyéthyl)-1H-indole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(2,2,2-trifluor-1-hydroxyethyl)-1H-indol-1-carboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indole-1-carboxylate
MFCD22681714
tert-butyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-indole-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.6±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 73.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.34
ACD/KOC (pH 5.5): 1300.46
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.33
ACD/KOC (pH 7.4): 1300.40
Polar Surface Area: 51 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 245.8±7.0 cm3

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