ChemSpider 2D Image | 7-Methyl-7-(4,4,4-trifluoro-1-hydroxy-2-butyn-1-yl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol | C19H21F3O2

7-Methyl-7-(4,4,4-trifluoro-1-hydroxy-2-butyn-1-yl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol

  • Molecular FormulaC19H21F3O2
  • Average mass338.364 Da
  • Monoisotopic mass338.149353 Da
  • ChemSpider ID28575667

More details:

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

2-Phenanthrenemethanol, 1,2,3,4,4a,9,10,10a-octahydro-7-hydroxy-2-methyl-α-(3,3,3-trifluoro-1-propyn-1-yl)- [ACD/Index Name]
7-Methyl-7-(4,4,4-trifluor-1-hydroxy-2-butin-1-yl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol [German] [ACD/IUPAC Name]
7-Methyl-7-(4,4,4-trifluoro-1-hydroxy-2-butyn-1-yl)-4b,5,6,7,8,8a,9,10-octahydro-2-phenanthrenol [ACD/IUPAC Name]
7-Méthyl-7-(4,4,4-trifluoro-1-hydroxy-2-butyn-1-yl)-4b,5,6,7,8,8a,9,10-octahydro-2-phénanthrénol [French] [ACD/IUPAC Name]
(4br,7r,8ar)-7-methyl-7-[(1r)-4,4,4-trifluoro-1-hydroxybut-2-yn-1-yl]-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol
150161-10-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 444.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 222.7±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 84.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4237.60
ACD/KOC (pH 5.5): 13736.77
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4232.68
ACD/KOC (pH 7.4): 13720.82
Polar Surface Area: 40 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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