ChemSpider 2D Image | heptafluthrin (provisional) | C18H17F7O3

heptafluthrin (provisional)

  • Molecular FormulaC18H17F7O3
  • Average mass414.315 Da
  • Monoisotopic mass414.106598 Da
  • ChemSpider ID28184898

  • Double-bond stereo - Double-bond stereo

More details:

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

[2,3,5,6-Tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoro-1-propen-1-yl]cyclopropanecarboxylate
1130296-65-9 [RN]
2,2-Diméthyl-3-[(1Z)-3,3,3-trifluoro-1-propén-1-yl]cyclopropanecarboxylate de 2,3,5,6-tétrafluoro-4-(méthoxyméthyl)benzyle [French] [ACD/IUPAC Name]
2,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-[(1Z)-3,3,3-trifluor-1-propen-1-yl]cyclopropancarboxylat [German] [ACD/IUPAC Name]
2,3,5,6-Tetrafluoro-4-(methoxymethyl)benzyl 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoro-1-propen-1-yl]cyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoro-1-propen-1-yl]-, [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl ester [ACD/Index Name]
Heptafluthrin
heptafluthrin (provisional) [BSI] [ISO]
L3TJ A1 A1 BVO1R BF CF EF FF D1O1& C1U1XFFF &&(1RS,3RS;1RS,3SR)-Z Form [WLN]
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1ξ,3ξ)-2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropane-1-carboxylate
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  • Miscellaneous

    • Chemical Class:

      A carboxylic ester resulting from the formal condensation of the carboxy group of 2,2-dimethyl-3-[(1<stereo>Z</stereo>)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol. It is an unspecified mixture of isomers at the cyclopropane ring; the trifluoropropenyl side-chain has <stereo>Z</stereo> configuration. It is an insecticide with rapid knock-down activity. ChEBI CHEBI:132504
      A carboxylic ester resulting from the formal condensation of the carboxy group of 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetra fluoro-4-(methoxymethyl)benzyl alcohol. It is an unspecified mixture of isomers at the cyclopropane ring; the trifluoropropenyl side-chain has Z configuration. It is an insecticide with rapid knock-d own activity. ChEBI CHEBI:132504
      A carboxylic ester resulting from the formal condensation of the carboxy group of 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylic acid with the hydroxy group; of 2,3,5,6-tet rafluoro-4-(methoxymethyl)benzyl alcohol. It is an unspecified mixture of isomers at the cyclopropane ring; the trifluoropropenyl side-chain has Z configuration. It is; an insecticide with rapid kno ck-down activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132504

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

Density: 1.4±0.1 g/cm3
Boiling Point: 353.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.9±3.0 kJ/mol
Flash Point: 162.2±22.8 °C
Index of Refraction: 1.489
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4223.82
ACD/KOC (pH 5.5): 13704.82
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4223.82
ACD/KOC (pH 7.4): 13704.82
Polar Surface Area: 36 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 298.3±3.0 cm3

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