ChemSpider 2D Image | (R)-fipronil | C12H4Cl2F6N4OS

(R)-fipronil

  • Molecular FormulaC12H4Cl2F6N4OS
  • Average mass437.148 Da
  • Monoisotopic mass435.938690 Da
  • ChemSpider ID34448768
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(R)-fipronil
{5-Amino-3-cyan-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-1H-pyrazol-4-yl}(trifluormethyl)sulfoniumolat [German] [ACD/IUPAC Name]
{5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(trifluoromethyl)sulfoniumolate [ACD/IUPAC Name]
{5-Amino-3-cyano-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-1H-pyrazol-4-yl}(trifluorométhyl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, [5-amino-3-cyano-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]hydroxy(trifluoromethyl)-, inner salt [ACD/Index Name]
(-)-fipronil
(R)-(-)-fipronil
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(R)-(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83395
  • Miscellaneous
    • Chemical Class:

      A 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile that has <stereo>R</stereo> configuration at the sulfoxide. ChEBI CHEBI:83395

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 91 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 233.7±7.0 cm3

Click to predict properties on the Chemicalize site






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