ChemSpider 2D Image | Afoxolaner | C26H17ClF9N3O3

Afoxolaner

  • Molecular FormulaC26H17ClF9N3O3
  • Average mass625.870 Da
  • Monoisotopic mass625.081482 Da
  • ChemSpider ID28651525

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

1093861-60-9 [RN]
1-Naphthalenecarboxamide, 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-N-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]- [ACD/Index Name]
4-{5-[3-Chlor-5-(trifluormethyl)phenyl]-5-(trifluormethyl)-4,5-dihydro-1,2-oxazol-3-yl}-N-{2-oxo-2-[(2,2,2-trifluorethyl)amino]ethyl}-1-naphthamid [German] [ACD/IUPAC Name]
4-{5-[3-Chloro-5-(trifluorométhyl)phényl]-5-(trifluorométhyl)-4,5-dihydro-1,2-oxazol-3-yl}-N-{2-oxo-2-[(2,2,2-trifluoroéthyl)amino]éthyl}-1-naphtamide [French] [ACD/IUPAC Name]
4-{5-[3-Chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl}-N-{2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl}-1-naphthamide [ACD/IUPAC Name]
9697
afoxolaner [French] [INN]
afoxolaner [Spanish] [INN]
AFOXOLANER, (R)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

02L07H6D0U [DBID]
UNII:02L07H6D0U [DBID]
46658IQN7V [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.550
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24372.36
ACD/KOC (pH 5.5): 48053.71
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24371.85
ACD/KOC (pH 7.4): 48052.71
Polar Surface Area: 80 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 408.3±7.0 cm3

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