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Search term: HGHRCZOIYJBGPL-RKDXNWHRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (6R,7S)-6-Ethyl-7-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one | C16H16F3NO2

(6R,7S)-6-Ethyl-7-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one

  • Molecular FormulaC16H16F3NO2
  • Average mass311.299 Da
  • Monoisotopic mass311.113312 Da
  • ChemSpider ID28945708

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,7S)-6-Ethyl-7-methyl-4-(trifluormethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]chinolin-2-on [German] [ACD/IUPAC Name]
(6R,7S)-6-Éthyl-7-méthyl-4-(trifluorométhyl)-6,7,8,9-tétrahydro-2H-pyrano[3,2-g]quinoléin-2-one [French] [ACD/IUPAC Name]
(6R,7S)-6-Ethyl-7-methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one [ACD/IUPAC Name]
2H-Pyrano[3,2-g]quinolin-2-one, 6-ethyl-6,7,8,9-tetrahydro-7-methyl-4-(trifluoromethyl)-, (6R,7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 355.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 168.9±27.9 °C
Index of Refraction: 1.508
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1146.06
ACD/KOC (pH 5.5): 5254.23
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1250.13
ACD/KOC (pH 7.4): 5731.35
Polar Surface Area: 38 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 248.6±3.0 cm3

Click to predict properties on the Chemicalize site


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