ChemSpider 2D Image | Tecarfarin | C21H14F6O5


  • Molecular FormulaC21H14F6O5
  • Average mass460.323 Da
  • Monoisotopic mass460.074554 Da
  • ChemSpider ID26467760

More details:

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

1,1,1,3,3,3-Hexafluor-2-methyl-2-propanyl-4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]benzoat [German] [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanyl 4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]benzoate [ACD/IUPAC Name]
1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl 4-((4-hydroxy-2-oxo-2H-chromen-3-yl)methyl)benzoate
4-[(4-Hydroxy-2-oxo-2H-chromén-3-yl)méthyl]benzoate de 1,1,1,3,3,3-hexafluoro-2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
867257-26-9 [RN]
Benzoic acid, 4-[(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)methyl]-, 2,2,2-trifluoro-1-methyl-1-(trifluoromethyl)ethyl ester [ACD/Index Name]
Tecarfarin [INN] [USAN]
tecarfarina [Spanish] [INN]
técarfarine [French] [INN]
tecarfarinum [Latin] [INN]

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

9141 [DBID]
ATI-5923 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 498.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 255.5±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.40
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 977.86
ACD/KOC (pH 5.5): 2434.76
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 16.87
ACD/KOC (pH 7.4): 42.00
Polar Surface Area: 73 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 308.6±3.0 cm3

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