ChemSpider 2D Image | (5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide | C15H12F3IN2O3

(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide

  • Molecular FormulaC15H12F3IN2O3
  • Average mass452.167 Da
  • Monoisotopic mass451.984467 Da
  • ChemSpider ID25057328
  • 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

(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
(5S,6Z)-4,5-Difluor-6-[(2-fluor-4-iodphenyl)imino]-N-(2-hydroxyethoxy)-1,3-cyclohexadien-1-carboxamid [German] [ACD/IUPAC Name]
(5S,6Z)-4,5-Difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)-1,3-cyclohexadiene-1-carboxamide [ACD/IUPAC Name]
(5S,6Z)-4,5-Difluoro-6-[(2-fluoro-4-iodophényl)imino]-N-(2-hydroxyéthoxy)-1,3-cyclohexadiène-1-carboxamide [French] [ACD/IUPAC Name]
1,3-Cyclohexadiene-1-carboxamide, 4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)-, (5S,6Z)- [ACD/Index Name]
(5S,6Z)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.610
Molar Refractivity: 88.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 61.39
ACD/KOC (pH 5.5): 663.02
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 61.39
ACD/KOC (pH 7.4): 663.02
Polar Surface Area: 71 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 44.9±7.0 dyne/cm
Molar Volume: 253.8±7.0 cm3

Click to predict properties on the Chemicalize site






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