ChemSpider 2D Image | (2S)-2-(Trifluoromethyl)indoline | C9H8F3N

(2S)-2-(Trifluoromethyl)indoline

  • Molecular FormulaC9H8F3N
  • Average mass187.162 Da
  • Monoisotopic mass187.060883 Da
  • ChemSpider ID26235429

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(Trifluormethyl)indolin [German] [ACD/IUPAC Name]
(2S)-2-(Trifluoromethyl)indoline [ACD/IUPAC Name]
(2S)-2-(Trifluorométhyl)indoline [French] [ACD/IUPAC Name]
1H-Indole, 2,3-dihydro-2-(trifluoromethyl)-, (2S)- [ACD/Index Name]
(2S)-2-(trifluoromethyl)-2,3-dihydro-1H-indole
1350632-23-3 [RN]
MFCD20492663

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 222.3±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 45.9±3.0 kJ/mol
    Flash Point: 88.3±25.9 °C
    Index of Refraction: 1.480
    Molar Refractivity: 42.0±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.96
    ACD/LogD (pH 5.5): 2.56
    ACD/BCF (pH 5.5): 51.73
    ACD/KOC (pH 5.5): 586.38
    ACD/LogD (pH 7.4): 2.56
    ACD/BCF (pH 7.4): 51.79
    ACD/KOC (pH 7.4): 587.08
    Polar Surface Area: 12 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 29.0±3.0 dyne/cm
    Molar Volume: 147.6±3.0 cm3

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