ChemSpider 2D Image | 2,2,2-Trifluoroethyl [(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbamate | C22H31F3N2O3

2,2,2-Trifluoroethyl [(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbamate

  • Molecular FormulaC22H31F3N2O3
  • Average mass428.488 Da
  • Monoisotopic mass428.228668 Da
  • ChemSpider ID88298114

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-Triméthyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tétradécahydro-1H-indéno[5,4-f]quinoléin-7-yl]carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
2,2,2-Trifluorethyl-[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]chinolin-7-yl]carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl [(4aR,4bS,6aS,7S,9aS,9bS,11aR)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinolin-7-yl]carbamate [ACD/IUPAC Name]
Carbamic acid, N-[(4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1,4a,6a-trimethyl-2-oxo-1H-indeno[5,4-f]quinolin-7-yl]-, 2,2,2-trifluoroethyl ester [ACD/Index Name]
796885-38-6 [RN]
MK-4541

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

Density: 1.3±0.1 g/cm3
Boiling Point: 522.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 269.7±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 378.45
ACD/KOC (pH 5.5): 2437.48
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 378.41
ACD/KOC (pH 7.4): 2437.25
Polar Surface Area: 59 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

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