ChemSpider 2D Image | 2-{[2,3,5,6-Tetrafluoro-3'-(trifluoromethoxy)-4-biphenylyl]carbamoyl}-1,3-cyclopentadiene-1-carboxylic acid | C20H10F7NO4

2-{[2,3,5,6-Tetrafluoro-3'-(trifluoromethoxy)-4-biphenylyl]carbamoyl}-1,3-cyclopentadiene-1-carboxylic acid

  • Molecular FormulaC20H10F7NO4
  • Average mass461.286 Da
  • Monoisotopic mass461.049805 Da
  • ChemSpider ID22377414

More details:

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

1,3-Cyclopentadiene-1-carboxylic acid, 2-[[[2,3,5,6-tetrafluoro-3'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]amino]carbonyl]- [ACD/Index Name]
2-({[2,3,5,6-TETRAFLUORO-3'-(TRIFLUOROMETHOXY)BIPHENYL-4-YL]AMINO}CARBONYL)CYCLOPENTA-1,3-DIENE-1-CARBOXYLIC ACID
2-{[2,3,5,6-Tetrafluor-3'-(trifluormethoxy)-4-biphenylyl]carbamoyl}-1,3-cyclopentadien-1-carbonsäure [German] [ACD/IUPAC Name]
2-{[2,3,5,6-Tetrafluoro-3'-(trifluoromethoxy)-4-biphenylyl]carbamoyl}-1,3-cyclopentadiene-1-carboxylic acid [ACD/IUPAC Name]
Acide 2-{[2,3,5,6-tétrafluoro-3'-(trifluorométhoxy)-4-biphénylyl]carbamoyl}-1,3-cyclopentadiène-1-carboxylique [French] [ACD/IUPAC Name]
2-({2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)phenyl]phenyl}carbamoyl)cyclopenta-1,3-diene-1-carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 494.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 252.6±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 174.30
ACD/KOC (pH 5.5): 599.82
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.91
ACD/KOC (pH 7.4): 10.01
Polar Surface Area: 76 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 284.6±3.0 cm3

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