ChemSpider 2D Image | (3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol | C6H11F2NO2

(3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol

  • Molecular FormulaC6H11F2NO2
  • Average mass167.154 Da
  • Monoisotopic mass167.075790 Da
  • ChemSpider ID34208398

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-(2,2-Difluorethyl)-3,4-pyrrolidindiol [German] [ACD/IUPAC Name]
(3R,4S)-1-(2,2-Difluoroethyl)-3,4-pyrrolidinediol [ACD/IUPAC Name]
(3R,4S)-1-(2,2-Difluoroéthyl)-3,4-pyrrolidinediol [French] [ACD/IUPAC Name]
3,4-Pyrrolidinediol, 1-(2,2-difluoroethyl)-, (3R,4S)- [ACD/Index Name]
(3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
1-(2,2-difluoroethyl)pyrrolidine-3,4-diol, cis
1690112-93-6 [RN]
cis-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
MFCD21919590

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

Density: 1.4±0.1 g/cm3
Boiling Point: 246.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.2±6.0 kJ/mol
Flash Point: 103.1±25.9 °C
Index of Refraction: 1.480
Molar Refractivity: 34.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.21
ACD/LogD (pH 7.4): -0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.45
Polar Surface Area: 44 Å2
Polarizability: 13.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 122.6±3.0 cm3

Click to predict properties on the Chemicalize site


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