ChemSpider 2D Image | 1-(3-Chloro-2,2-dimethyl-3,4-dihydro-1(2H)-quinolinyl)-2,2,2-trifluoroethanone | C13H13ClF3NO

1-(3-Chloro-2,2-dimethyl-3,4-dihydro-1(2H)-quinolinyl)-2,2,2-trifluoroethanone

  • Molecular FormulaC13H13ClF3NO
  • Average mass291.697 Da
  • Monoisotopic mass291.063782 Da
  • ChemSpider ID28566014

More details:

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

1-(3-Chlor-2,2-dimethyl-3,4-dihydro-1(2H)-chinolinyl)-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
1-(3-Chloro-2,2-diméthyl-3,4-dihydro-1(2H)-quinoléinyl)-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
1-(3-Chloro-2,2-dimethyl-3,4-dihydro-1(2H)-quinolinyl)-2,2,2-trifluoroethanone [ACD/IUPAC Name]
Ethanone, 1-(3-chloro-3,4-dihydro-2,2-dimethyl-1(2H)-quinolinyl)-2,2,2-trifluoro- [ACD/Index Name]
828939-08-8 [RN]
QUINOLINE, 3-CHLORO-1,2,3,4-TETRAHYDRO-2,2-DIMETHYL-1-(TRIFLUOROACETYL)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 367.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.0±27.9 °C
Index of Refraction: 1.521
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 421.96
ACD/KOC (pH 5.5): 2634.96
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 421.96
ACD/KOC (pH 7.4): 2634.96
Polar Surface Area: 20 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 217.7±5.0 cm3

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