ChemSpider 2D Image | 5-Chloro-6-[(1S)-1-fluoroethyl]-N-{2-[4-(trifluoromethoxy)phenyl]ethyl}-4-pyrimidinamine | C15H14ClF4N3O

5-Chloro-6-[(1S)-1-fluoroethyl]-N-{2-[4-(trifluoromethoxy)phenyl]ethyl}-4-pyrimidinamine

  • Molecular FormulaC15H14ClF4N3O
  • Average mass363.738 Da
  • Monoisotopic mass363.076141 Da
  • ChemSpider ID34991673

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Pyrimidinamine, 5-chloro-6-[(1S)-1-fluoroethyl]-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]- [ACD/Index Name]
5-Chlor-6-[(1S)-1-fluorethyl]-N-{2-[4-(trifluormethoxy)phenyl]ethyl}-4-pyrimidinamin [German] [ACD/IUPAC Name]
5-Chloro-6-[(1S)-1-fluoroethyl]-N-{2-[4-(trifluoromethoxy)phenyl]ethyl}-4-pyrimidinamine [ACD/IUPAC Name]
5-Chloro-6-[(1S)-1-fluoroéthyl]-N-{2-[4-(trifluorométhoxy)phényl]éthyl}-4-pyrimidinamine [French] [ACD/IUPAC Name]
170015-32-4 [RN]
flufenerim [BSI] [ISO]
UNII-JMT14E2D3Z

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

Density: 1.4±0.1 g/cm3
Boiling Point: 440.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 82.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1744.13
ACD/KOC (pH 5.5): 7273.92
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1746.23
ACD/KOC (pH 7.4): 7282.68
Polar Surface Area: 47 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 263.9±3.0 cm3

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