ChemSpider 2D Image | BHF-177 | C19H20F3N3

BHF-177

  • Molecular FormulaC19H20F3N3
  • Average mass347.377 Da
  • Monoisotopic mass347.160919 Da
  • ChemSpider ID26286940
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

4-Pyrimidinamine, N-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-2-methyl-5-[4-(trifluoromethyl)phenyl]- [ACD/Index Name]
BHF-177 [Wiki]
N-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-2-methyl-5-[4-(trifluormethyl)phenyl]-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-2-methyl-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinamine [ACD/IUPAC Name]
N-[(1R,2R,4S)-Bicyclo[2.2.1]hept-2-yl]-2-méthyl-5-[4-(trifluorométhyl)phényl]-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, N-(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl-2-methyl-5-[4-(trifluoromethyl)phenyl]-
917896-43-6 [RN]
BHF 177
BHF 177|BHF177
BHF177
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 452.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.1±3.0 kJ/mol
Flash Point: 227.2±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 3388.87
ACD/KOC (pH 5.5): 9426.93
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7156.58
ACD/KOC (pH 7.4): 19907.71
Polar Surface Area: 38 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 271.7±3.0 cm3

Click to predict properties on the Chemicalize site





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