ChemSpider 2D Image | 2-(1-Azepanyl)-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]acetohydrazide | C18H21F6N3O3

2-(1-Azepanyl)-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]acetohydrazide

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID100396586

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Azepine-1-acetic acid, hexahydro-, 2-[(1Z)-[4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]methylene]hydrazide [ACD/Index Name]
2-(1-Azepanyl)-N'-[(Z)-{4-[1,1,2-trifluor-2-(trifluormethoxy)ethoxy]phenyl}methylen]acetohydrazid [German] [ACD/IUPAC Name]
2-(1-Azepanyl)-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl}methylene]acetohydrazide [ACD/IUPAC Name]
2-(1-Azépanyl)-N'-[(Z)-{4-[1,1,2-trifluoro-2-(trifluorométhoxy)éthoxy]phényl}méthylène]acétohydrazide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.495
Molar Refractivity: 94.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 98.71
ACD/KOC (pH 5.5): 300.80
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3121.11
ACD/KOC (pH 7.4): 9511.04
Polar Surface Area: 63 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 35.1±7.0 dyne/cm
Molar Volume: 323.8±7.0 cm3

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