ChemSpider 2D Image | 2,2,2-trifluoroethyl N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)carbamate | C14H13F3N4O2

2,2,2-trifluoroethyl N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)carbamate

  • Molecular FormulaC14H13F3N4O2
  • Average mass326.274 Da
  • Monoisotopic mass326.099060 Da
  • ChemSpider ID25993429

More details:

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

[3-(6,7-Dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phényl]carbamate de 2,2,2-trifluoroéthyle [French] [ACD/IUPAC Name]
1221725-30-9 [RN]
2,2,2-Trifluorethyl-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]carbamat [German] [ACD/IUPAC Name]
2,2,2-Trifluoroethyl [3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]carbamate [ACD/IUPAC Name]
2,2,2-trifluoroethyl N-(3-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-yl}phenyl)carbamate
2,2,2-Trifluoroethyl N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]carbamate
Carbamic acid, N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazol-3-yl)phenyl]-, 2,2,2-trifluoroethyl ester [ACD/Index Name]
2,2,2-TRIFLUOROETHYL N-(3-(5H,6H,7H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-YL)PHENYL)CARBAMATE
MFCD14705626 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 74.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 51.99
ACD/KOC (pH 5.5): 587.99
ACD/LogD (pH 7.4): 2.56
ACD/BCF (pH 7.4): 52.19
ACD/KOC (pH 7.4): 590.26
Polar Surface Area: 69 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 215.2±7.0 cm3

Click to predict properties on the Chemicalize site


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