ChemSpider 2D Image | 4-Isoquinolinyl[4-(trifluoromethyl)phenyl]methanone | C17H10F3NO

4-Isoquinolinyl[4-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC17H10F3NO
  • Average mass301.263 Da
  • Monoisotopic mass301.071442 Da
  • ChemSpider ID27525400

More details:

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

1187171-64-7 [RN]
4-Isochinolinyl[4-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
4-Isoquinoléinyl[4-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
4-Isoquinolinyl[4-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
Isoquinolin-4-yl(4-(trifluoromethyl)phenyl)methanone
Methanone, 4-isoquinolinyl[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-(4-Trifluoromethylbenzoyl)isoquinoline
4-[4-(TRIFLUOROMETHYL)BENZOYL]ISOQUINOLINE
isoquinolin-4-yl-[4-(trifluoromethyl)phenyl]methanone
MFCD13153017 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 426.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.8±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.00
ACD/KOC (pH 5.5): 3469.06
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.91
ACD/KOC (pH 7.4): 3474.18
Polar Surface Area: 30 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 228.4±3.0 cm3

Click to predict properties on the Chemicalize site


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