ChemSpider 2D Image | 1-(5-Chloro-3,4-dihydro-2(1H)-isoquinolinyl)-4,4,4-trifluoro-1-butanone | C13H13ClF3NO

1-(5-Chloro-3,4-dihydro-2(1H)-isoquinolinyl)-4,4,4-trifluoro-1-butanone

  • Molecular FormulaC13H13ClF3NO
  • Average mass291.697 Da
  • Monoisotopic mass291.063782 Da
  • ChemSpider ID35069831

More details:

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

1-(5-Chlor-3,4-dihydro-2(1H)-isochinolinyl)-4,4,4-trifluor-1-butanon [German] [ACD/IUPAC Name]
1-(5-Chloro-3,4-dihydro-2(1H)-isoquinoléinyl)-4,4,4-trifluoro-1-butanone [French] [ACD/IUPAC Name]
1-(5-Chloro-3,4-dihydro-2(1H)-isoquinolinyl)-4,4,4-trifluoro-1-butanone [ACD/IUPAC Name]
1-Butanone, 1-(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)-4,4,4-trifluoro- [ACD/Index Name]
5-chloro-2-(4,4,4-trifluorobutanoyl)-1,2,3,4-tetrahydroisoquinoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 385.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.7±27.9 °C
Index of Refraction: 1.510
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.69
ACD/KOC (pH 5.5): 1773.46
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.69
ACD/KOC (pH 7.4): 1773.46
Polar Surface Area: 20 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement