<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:39:29 UTC</creation_date>
  <update_date>2026-08-27 22:11:17 UTC</update_date>
  <accession/>
  <common_name>3-(Nonafluorobutyl)-1-benzothiophene</common_name>
  <class>SmallMolecule</class>
  <description>3-(Nonafluorobutyl)-1-benzothiophene belongs to the 1-benzothiophenes, a subclass of benzothiophenes within the organic compounds. This organoheterocyclic compound has the chemical formula C12H5F9S and an average molecular weight of 352.22 g/mol.

The compound is found in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is found in the textiles, leather and furnishings sector, specifically in carpets, rugs, and synthetic textiles. Other 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 linked to lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing, along with one other sector. Recorded routes of exposure for this substance include oral, inhalation, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H5F9S</chemical_formula>
  <average_molecular_weight>352.22</average_molecular_weight>
  <monisotopic_moleculate_weight>351.9968251</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1608112-39-5</cas_registry_number>
  <smiles>FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CSC2=CC=CC=C12</smiles>
  <inchi>InChI=1S/C12H5F9S/c13-9(14,10(15,16)11(17,18)12(19,20)21)7-5-22-8-4-2-1-3-6(7)8/h1-5H</inchi>
  <inchikey>PZDHVRNTCYBOHX-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>5.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>352.22</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>351.9968251</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CSC2=CC=CC=C12</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H5F9S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H5F9S/c13-9(14,10(15,16)11(17,18)12(19,20)21)7-5-22-8-4-2-1-3-6(7)8/h1-5H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PZDHVRNTCYBOHX-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:0x00007f72236b4620&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>125489357</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
