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Search term: HIPJBDWYTGOGHR-UHFFFAOYSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 1-Naphthyl[3-{[4-(trifluoromethoxy)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone | C28H22F3NO3

1-Naphthyl[3-{[4-(trifluoromethoxy)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone

  • Molecular FormulaC28H22F3NO3
  • Average mass477.474 Da
  • Monoisotopic mass477.155182 Da
  • ChemSpider ID28507942

More details:






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

1-Naphthyl[3-{[4-(trifluormethoxy)phenoxy]methyl}-3,4-dihydro-2(1H)-isochinolinyl]methanon [German] [ACD/IUPAC Name]
1-Naphthyl[3-{[4-(trifluoromethoxy)phenoxy]methyl}-3,4-dihydro-2(1H)-isoquinolinyl]methanone [ACD/IUPAC Name]
1-Naphtyl[3-{[4-(trifluorométhoxy)phénoxy]méthyl}-3,4-dihydro-2(1H)-isoquinoléinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3,4-dihydro-3-[[4-(trifluoromethoxy)phenoxy]methyl]-2(1H)-isoquinolinyl]-1-naphthalenyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 604.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.5±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 127.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29147.29
ACD/KOC (pH 5.5): 54619.00
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29147.29
ACD/KOC (pH 7.4): 54619.00
Polar Surface Area: 39 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 368.3±3.0 cm3

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