Found 2 results

Search term: SJBPQRRGHHQIOP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(2R)-4,4-Difluoro-2-(hydroxymethyl)-1-pyrrolidinyl]ethanol | C7H13F2NO2

2-[(2R)-4,4-Difluoro-2-(hydroxymethyl)-1-pyrrolidinyl]ethanol

  • Molecular FormulaC7H13F2NO2
  • Average mass181.180 Da
  • Monoisotopic mass181.091431 Da
  • ChemSpider ID96794953

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Pyrrolidineethanol, 4,4-difluoro-2-(hydroxymethyl)-, (2R)- [ACD/Index Name]
2-[(2R)-4,4-Difluor-2-(hydroxymethyl)-1-pyrrolidinyl]ethanol [German] [ACD/IUPAC Name]
2-[(2R)-4,4-Difluoro-2-(hydroxymethyl)-1-pyrrolidinyl]ethanol [ACD/IUPAC Name]
2-[(2R)-4,4-Difluoro-2-(hydroxyméthyl)-1-pyrrolidinyl]éthanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 272.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 59.3±6.0 kJ/mol
Flash Point: 118.4±27.3 °C
Index of Refraction: 1.481
Molar Refractivity: 39.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.71
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.29
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.09
Polar Surface Area: 44 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 139.1±5.0 cm3

Click to predict properties on the Chemicalize site


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