Found 1 result

Search term: Cc1cccc(c1)-c1cn(CC[C@H](N)Cc2cc(F)c(F)cc2F)nn1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2R)-4-[4-(3-Methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)-2-butanamine | C19H19F3N4

(2R)-4-[4-(3-Methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)-2-butanamine

  • Molecular FormulaC19H19F3N4
  • Average mass360.376 Da
  • Monoisotopic mass360.156189 Da
  • ChemSpider ID35035827

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-4-[4-(3-Methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophenyl)-2-butanamine [ACD/IUPAC Name]
(2R)-4-[4-(3-Méthylphényl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorophényl)-2-butanamine [French] [ACD/IUPAC Name]
(2r)-4-[4-(3-Methylphenyl)-1h-1,2,3-Triazol-1-Yl]-1-(2,4,5-Trifluorophenyl)butan-2-Amine
(2R)-4-[4-(3-Methylphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,4,5-trifluorphenyl)-2-butanamin [German] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-propanamine, 4-(3-methylphenyl)-α-[(2,4,5-trifluorophenyl)methyl]-, (αR)- [ACD/Index Name]
DC3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 510.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±32.9 °C
Index of Refraction: 1.591
Molar Refractivity: 93.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 52.86
Polar Surface Area: 57 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 277.7±7.0 cm3

Click to predict properties on the Chemicalize site


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