ChemSpider 2D Image | 3-(2-{[(Benzyloxy)carbonyl]amino}-5-iodophenyl)-3,3-difluoropropanoic acid | C17H14F2INO4

3-(2-{[(Benzyloxy)carbonyl]amino}-5-iodophenyl)-3,3-difluoropropanoic acid

  • Molecular FormulaC17H14F2INO4
  • Average mass461.199 Da
  • Monoisotopic mass460.993561 Da
  • ChemSpider ID98222993

More details:

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

3-(2-{[(Benzyloxy)carbonyl]amino}-5-iodophenyl)-3,3-difluoropropanoic acid [ACD/IUPAC Name]
3-(2-{[(Benzyloxy)carbonyl]amino}-5-iodphenyl)-3,3-difluorpropansäure [German] [ACD/IUPAC Name]
Acide 3-(2-{[(benzyloxy)carbonyl]amino}-5-iodophényl)-3,3-difluoropropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β,β-difluoro-5-iodo-2-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 504.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 258.9±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 16.77
ACD/KOC (pH 5.5): 82.29
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.90
Polar Surface Area: 76 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 267.4±3.0 cm3

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