ChemSpider 2D Image | (3E)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-buten-2-ol | C13H13ClF3NO

(3E)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-buten-2-ol

  • Molecular FormulaC13H13ClF3NO
  • Average mass291.697 Da
  • Monoisotopic mass291.063782 Da
  • ChemSpider ID68023125

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluoro-3-buten-2-ol [ACD/IUPAC Name]
(3E)-2-(2-Amino-5-chlorophényl)-4-cyclopropyl-1,1,1-trifluoro-3-butén-2-ol [French] [ACD/IUPAC Name]
(3E)-2-(2-Amino-5-chlorphenyl)-4-cyclopropyl-1,1,1-trifluor-3-buten-2-ol [German] [ACD/IUPAC Name]
Benzenemethanol, 2-amino-5-chloro-α-[(E)-2-cyclopropylethenyl]-α-(trifluoromethyl)- [ACD/Index Name]
(E)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-en-2-ol
221177-51-1 [RN]
2-amino-5-chloro-α-[(1e)-2-cyclopropylethenyl]-α-(trifluoromethyl)-benzenemethanol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 385.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 187.2±27.9 °C
Index of Refraction: 1.629
Molar Refractivity: 69.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 130.57
ACD/KOC (pH 5.5): 1137.51
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.69
ACD/KOC (pH 7.4): 1138.57
Polar Surface Area: 46 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 195.3±3.0 cm3

Click to predict properties on the Chemicalize site


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