ChemSpider 2D Image | tert-Butyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate | C10H18FNO3

tert-Butyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate

  • Molecular FormulaC10H18FNO3
  • Average mass219.253 Da
  • Monoisotopic mass219.127075 Da
  • ChemSpider ID23499464

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,1-Dimethylethyl (3S,4R)-4-fluoro-3-hydroxy-1-piperidinecarboxylate
1174020-46-2 [RN]
1941213-08-6 [RN]
tert-Butyl (3S,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
(3S,4R)-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate
577691-56-6 [RN]
Chemistry 7602
cis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate
cis-4-Amino-1-Boc-3-fluoropiperidine
cis-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 300.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 62.7±6.0 kJ/mol
    Flash Point: 135.7±27.9 °C
    Index of Refraction: 1.478
    Molar Refractivity: 53.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.41
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 2.92
    ACD/KOC (pH 5.5): 75.02
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.92
    ACD/KOC (pH 7.4): 75.02
    Polar Surface Area: 50 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 38.1±5.0 dyne/cm
    Molar Volume: 189.6±5.0 cm3

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