ChemSpider 2D Image | (1S,2R)-2-(3,4-Difluorophenyl)cyclopropanamine | C9H9F2N

(1S,2R)-2-(3,4-Difluorophenyl)cyclopropanamine

  • Molecular FormulaC9H9F2N
  • Average mass169.171 Da
  • Monoisotopic mass169.070313 Da
  • ChemSpider ID29360967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(3,4-Difluorophenyl)cyclopropanamine [ACD/IUPAC Name]
(1S,2R)-2-(3,4-Difluorophényl)cyclopropanamine [French] [ACD/IUPAC Name]
(1S,2R)-2-(3,4-Difluorphenyl)cyclopropanamin [German] [ACD/IUPAC Name]
Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1S,2R)- [ACD/Index Name]
(1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine [ACD/IUPAC Name]
(1r,2s)-rel-2-(3,4-difluorophenyl)cyclopropanamine
(1s,2r)-2-(3,4-difluorophenyl) cyclopropanamine
(1S,2R)-2-(3,4-Difluorophenyl)cyclopropan-1-amine
(1S,2R)-2-(3,4-Difluorophenyl)-cyclopropanamine
(1S,2R)-2-(3,4-Difluorophenyl)cyclopropylamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 212.5±40.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.9±3.0 kJ/mol
    Flash Point: 99.0±14.4 °C
    Index of Refraction: 1.539
    Molar Refractivity: 41.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.27
    ACD/LogD (pH 5.5): -1.15
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.03
    ACD/KOC (pH 7.4): 21.68
    Polar Surface Area: 26 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 41.0±3.0 dyne/cm
    Molar Volume: 133.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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