<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:57:47 UTC</creation_date>
  <update_date>2026-08-26 20:22:28 UTC</update_date>
  <accession/>
  <common_name>Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate</common_name>
  <class>SmallMolecule</class>
  <description>Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate is an organic compound with the formula C11H11F7N2O2 and an average molecular weight of 336.21 g/mol. Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate belongs to the pyrazoles, a subclass of azoles within the organic compounds.

This substance has been identified in or released from 13 recorded sources across multiple sectors. In the energy, oil &amp; gas and industrial manufacturing &amp; chemical processing sectors, it is associated with lubricants. Within the healthcare, pharmaceuticals &amp; veterinary products sector, it is found in medical devices. In the food, food processing &amp; cookware sector, it is linked to food packaging. It is also present in textiles, leather &amp; furnishings, specifically in carpets, rugs, and synthetic textiles. Additionally, it is found in electrical &amp; electronic equipment, including batteries, capacitors, printed circuit boards, cell phones, wires, cables, and one other source. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C11H11F7N2O2</chemical_formula>
  <average_molecular_weight>336.21</average_molecular_weight>
  <monisotopic_moleculate_weight>336.0708751</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CCOC(=O)CC1=NN(C)C(=C1)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C11H11F7N2O2/c1-3-22-8(21)5-6-4-7(20(2)19-6)9(12,13)10(14,15)11(16,17)18/h4H,3,5H2,1-2H3</inchi>
  <inchikey>YKRCJHNYACIIBC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>336.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>336.0708751</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCOC(=O)CC1=NN(C)C(=C1)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C11H11F7N2O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C11H11F7N2O2/c1-3-22-8(21)5-6-4-7(20(2)19-6)9(12,13)10(14,15)11(16,17)18/h4H,3,5H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>YKRCJHNYACIIBC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f25f790&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>125472166</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
