<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:57:43 UTC</creation_date>
  <update_date>2026-08-19 14:32:57 UTC</update_date>
  <accession/>
  <common_name>4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane</common_name>
  <class>SmallMolecule</class>
  <description>4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane belongs to the 2,5-disubstituted thiophenes, a subclass of thiophenes within the organic compounds. With an average molecular weight of 528.14 g/mol, 4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane is a heavy molecule. It is characterized by the chemical formula C16H14BF13O2S.

This compound is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within healthcare, pharmaceuticals and veterinary products. Furthermore, it is used as lubricants in both the energy, oil and gas sector and industrial manufacturing and chemical processing, alongside one other sector. Recorded exposure routes for this substance include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C16H14BF13O2S</chemical_formula>
  <average_molecular_weight>528.14</average_molecular_weight>
  <monisotopic_moleculate_weight>528.059997</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1338083-27-4</cas_registry_number>
  <smiles>CC1(C)OB(OC1(C)C)C1=CC=C(S1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C16H14BF13O2S/c1-9(2)10(3,4)32-17(31-9)8-6-5-7(33-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h5-6H,1-4H3</inchi>
  <inchikey>SCCANFFIZWAW-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/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>528.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>528.059997</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1(C)OB(OC1(C)C)C1=CC=C(S1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H14BF13O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H14BF13O2S/c1-9(2)10(3,4)32-17(31-9)8-6-5-7(33-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h5-6H,1-4H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>SCCANFFIZWAW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227879100&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>99779912</pubchem_compound_id>
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</compound>
