ChemSpider 2D Image | (1S)-2-Amino-3,3,3-trifluoro-1-phenyl-1-propanol | C9H10F3NO

(1S)-2-Amino-3,3,3-trifluoro-1-phenyl-1-propanol

  • Molecular FormulaC9H10F3NO
  • Average mass205.177 Da
  • Monoisotopic mass205.071442 Da
  • ChemSpider ID75176169

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1S)-2-Amino-3,3,3-trifluor-1-phenyl-1-propanol [German] [ACD/IUPAC Name]
(1S)-2-Amino-3,3,3-trifluoro-1-phenyl-1-propanol [ACD/IUPAC Name]
(1S)-2-Amino-3,3,3-trifluoro-1-phényl-1-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, α-(1-amino-2,2,2-trifluoroethyl)-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 347.9±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: 164.2±27.9 °C
Index of Refraction: 1.495
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.11
ACD/KOC (pH 5.5): 66.55
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.50
ACD/KOC (pH 7.4): 117.63
Polar Surface Area: 46 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 157.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement