ChemSpider 2D Image | 2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol | C12H16F3NO2

2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID27465040
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-[(1R)-1-Amino-2,2,2-trifluorethyl]-4-butoxyphenol [German] [ACD/IUPAC Name]
2-[(1R)-1-Amino-2,2,2-trifluoroethyl]-4-butoxyphenol [ACD/IUPAC Name]
2-[(1R)-1-Amino-2,2,2-trifluoroéthyl]-4-butoxyphénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-butoxy- [ACD/Index Name]
2-((1R)-1-AMINO-2,2,2-TRIFLUOROETHYL)-4-BUTOXYPHENOL
MFCD11010611

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 356.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 169.4±27.9 °C
Index of Refraction: 1.491
Molar Refractivity: 62.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 44.47
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.27
ACD/KOC (pH 7.4): 341.67
Polar Surface Area: 55 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 215.0±3.0 cm3

Click to predict properties on the Chemicalize site






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