ChemSpider 2D Image | Methyl (1S)-3,3-difluorocyclopentanecarboxylate | C7H10F2O2

Methyl (1S)-3,3-difluorocyclopentanecarboxylate

  • Molecular FormulaC7H10F2O2
  • Average mass164.150 Da
  • Monoisotopic mass164.064880 Da
  • ChemSpider ID34066463

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-3,3-Difluorocyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1408002-87-8 [RN]
Cyclopentanecarboxylic acid, 3,3-difluoro-, methyl ester, (1S)- [ACD/Index Name]
Methyl (1S)-3,3-difluorocyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1S)-3,3-difluorcyclopentancarboxylat [German] [ACD/IUPAC Name]
(S)-Methyl 3,3-difluorocyclopentanecarboxylate
methyl (1s)-3,3-difluorocyclopentane-1-carboxylate
methyl (S)-3,3-difluorocyclopentane-1-carboxylate
MFCD23106010

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 156.9±40.0 °C at 760 mmHg
    Vapour Pressure: 2.8±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 39.4±3.0 kJ/mol
    Flash Point: 48.0±22.2 °C
    Index of Refraction: 1.405
    Molar Refractivity: 34.5±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.70
    ACD/LogD (pH 5.5): 1.38
    ACD/BCF (pH 5.5): 6.61
    ACD/KOC (pH 5.5): 134.57
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 6.61
    ACD/KOC (pH 7.4): 134.57
    Polar Surface Area: 26 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 26.3±5.0 dyne/cm
    Molar Volume: 140.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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