ChemSpider 2D Image | (4S)-6-Chloro-4-[(~2~H_5_)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one | C14H4D5ClF3NO2

(4S)-6-Chloro-4-[(2H5)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one

  • Molecular FormulaC14H4D5ClF3NO2
  • Average mass320.706 Da
  • Monoisotopic mass320.058777 Da
  • ChemSpider ID48062743

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-6-Chlor-4-[(2H5)cyclopropylethinyl]-4-(trifluormethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-on [German] [ACD/IUPAC Name]
(4S)-6-Chloro-4-[(2H5)cyclopropylethynyl]-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [ACD/IUPAC Name]
(4S)-6-Chloro-4-[(2H5)cyclopropyléthynyl]-4-(trifluorométhyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one [French] [ACD/IUPAC Name]
2H-3,1-Benzoxazin-2-one, 6-chloro-4-[2-(cyclopropyl-d5)ethynyl]-1,4-dihydro-4-(trifluoromethyl)-, (4S)- [ACD/Index Name]
(4S)-6-chloro-4-[2-(1,2,2,3,3-pentadeuteriocyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
1132642-95-5 [RN]

    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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