Found 3 results

Search term: DMXXITLTOBWYSU (Found by InChIKey (skeleton match))
ChemSpider 2D Image | [(3S)-1-Benzyl-4,4-difluoro-3-piperidinyl]methanol | C13H17F2NO

[(3S)-1-Benzyl-4,4-difluoro-3-piperidinyl]methanol

  • Molecular FormulaC13H17F2NO
  • Average mass241.277 Da
  • Monoisotopic mass241.127823 Da
  • ChemSpider ID108523403

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S)-1-Benzyl-4,4-difluor-3-piperidinyl]methanol [German] [ACD/IUPAC Name]
[(3S)-1-Benzyl-4,4-difluoro-3-piperidinyl]methanol [ACD/IUPAC Name]
[(3S)-1-Benzyl-4,4-difluoro-3-pipéridinyl]méthanol [French] [ACD/IUPAC Name]
3-Piperidinemethanol, 4,4-difluoro-1-(phenylmethyl)-, (3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 298.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 134.1±27.3 °C
Index of Refraction: 1.535
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 8.61
ACD/KOC (pH 5.5): 151.82
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.90
ACD/KOC (pH 7.4): 192.23
Polar Surface Area: 23 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 201.7±5.0 cm3

Click to predict properties on the Chemicalize site


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