ChemSpider 2D Image | 6-Chloro-4-[(2,2,3,3-~2~H_4_)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one | C14H5D4ClF3NO2

6-Chloro-4-[(2,2,3,3-2H4)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC14H5D4ClF3NO2
  • Average mass319.700 Da
  • Monoisotopic mass319.052490 Da
  • ChemSpider ID23936031

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-3,1-Benzoxazin-2-one, 6-chloro-4-[2-(cyclopropyl-2,2,3,3-d4)ethynyl]-1,4-dihydro-4-(trifluoromethyl)- [ACD/Index Name]
6-Chlor-4-[(2,2,3,3-2H4)cyclopropylethinyl]-4-(trifluormethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
6-Chloro-4-[(2,2,3,3-2H4)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
6-Chloro-4-[(2,2,3,3-2H4)cyclopropyléthynyl]-4-(trifluorométhyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
1246812-58-7 [RN]
RAC EFAVIRENZ-D5

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

Density: 1.5±0.1 g/cm3
Boiling Point: 340.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 159.8±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1260.15
ACD/KOC (pH 5.5): 5766.04
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1258.37
ACD/KOC (pH 7.4): 5757.93
Polar Surface Area: 38 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 205.3±5.0 cm3

Click to predict properties on the Chemicalize site


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