ChemSpider 2D Image | (3R)-1-[(3Z)-4-(2,6-Difluorophenyl)-4-phenyl-3-buten-1-yl]-3-piperidinecarboxylic acid | C22H23F2NO2

(3R)-1-[(3Z)-4-(2,6-Difluorophenyl)-4-phenyl-3-buten-1-yl]-3-piperidinecarboxylic acid

  • Molecular FormulaC22H23F2NO2
  • Average mass371.420 Da
  • Monoisotopic mass371.169678 Da
  • ChemSpider ID26379108

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[(3Z)-4-(2,6-Difluorophenyl)-4-phenyl-3-buten-1-yl]-3-piperidinecarboxylic acid [ACD/IUPAC Name]
(3R)-1-[(3Z)-4-(2,6-Difluorphenyl)-4-phenyl-3-buten-1-yl]-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(3Z)-4-(2,6-difluorophenyl)-4-phenyl-3-buten-1-yl]-, (3R)- [ACD/Index Name]
Acide (3R)-1-[(3Z)-4-(2,6-difluorophényl)-4-phényl-3-butén-1-yl]-3-pipéridinecarboxylique [French] [ACD/IUPAC 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: 536.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 277.9±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 100.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 6.53
ACD/KOC (pH 5.5): 25.95
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 6.53
ACD/KOC (pH 7.4): 25.94
Polar Surface Area: 41 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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