<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 06:57:46 UTC</creation_date>
  <update_date>2026-08-27 22:26:09 UTC</update_date>
  <accession/>
  <common_name>1-Anilino-4,4,5,5,6,6,6-heptafluorohex-1-en-3-one</common_name>
  <class>SmallMolecule</class>
  <description>1-Anilino-4,4,5,5,6,6,6-heptafluorohex-1-en-3-one is an organic compound with the chemical formula C12H8F7NO and an average molecular weight of 315.19 g/mol. 1-Anilino-4,4,5,5,6,6,6-heptafluorohex-1-en-3-one belongs to the aniline and substituted anilines, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing, along with one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H8F7NO</chemical_formula>
  <average_molecular_weight>315.191</average_molecular_weight>
  <monisotopic_moleculate_weight>315.0494114</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>34648-00-5</cas_registry_number>
  <smiles>FC(F)(F)C(F)(F)C(F)(F)C(=O)C=CNC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)6-7-20-8-4-2-1-3-5-8/h1-7,20H</inchi>
  <inchikey>XFHCDUPPKDNJDY-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>4.7</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>315.191</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>315.0494114</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)(F)C(F)(F)C(F)(F)C(=O)C=CNC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H8F7NO</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)9(21)6-7-20-8-4-2-1-3-5-8/h1-7,20H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XFHCDUPPKDNJDY-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:0x00007f7223f9f500&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>71360990</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
