ChemSpider 2D Image | 4-(Trifluoromethyl)isoindoline | C9H8F3N

4-(Trifluoromethyl)isoindoline

  • Molecular FormulaC9H8F3N
  • Average mass187.162 Da
  • Monoisotopic mass187.060883 Da
  • ChemSpider ID13979327

More details:

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

1086395-63-2 [RN]
1H-Isoindole, 2,3-dihydro-4-(trifluoromethyl)- [ACD/Index Name]
4-(Trifluormethyl)isoindolin [German] [ACD/IUPAC Name]
4-(Trifluoromethyl)isoindoline [ACD/IUPAC Name]
4-(Trifluorométhyl)isoindoline [French] [ACD/IUPAC Name]
[1086395-63-2] [RN]
4-(Trifluoromethyl)-2,3-dihydro-1H-isoindole
6-amino-5-iodo-1H-pyrimidin-2-one
6-amino-5-iodo-1H-pyrimidin-2-one;6-Amino-5-iodopyrimidin-2(1H)-one
MFCD11223560 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 184.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.7±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.1±3.0 kJ/mol
    Flash Point: 65.4±25.9 °C
    Index of Refraction: 1.481
    Molar Refractivity: 42.1±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): -0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.01
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 3.70
    ACD/KOC (pH 7.4): 48.54
    Polar Surface Area: 12 Å2
    Polarizability: 16.7±0.5 10-24cm3
    Surface Tension: 29.0±3.0 dyne/cm
    Molar Volume: 148.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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