<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 05:39:32 UTC</creation_date>
  <update_date>2026-08-27 22:10:25 UTC</update_date>
  <accession/>
  <common_name>4-Amino-2-(undecafluoropentyl)benzonitrile</common_name>
  <class>SmallMolecule</class>
  <description>4-Amino-2-(undecafluoropentyl)benzonitrile is an organic compound with the chemical formula C12H5F11N2 and an average molecular weight of 386.17 g/mol. 4-Amino-2-(undecafluoropentyl)benzonitrile belongs to the benzonitriles, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is associated with 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is also present in synthetic textiles and carpets and rugs within the textiles, leather and furnishings sector. Other identified 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 both energy, oil and gas, as well as industrial manufacturing and chemical processing. One further sector is also recorded. Human exposure to the substance occurs through inhalation, oral ingestion, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C12H5F11N2</chemical_formula>
  <average_molecular_weight>386.168</average_molecular_weight>
  <monisotopic_moleculate_weight>386.0277086</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1463530-19-9</cas_registry_number>
  <smiles>NC1=CC=C(C#N)C(=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</smiles>
  <inchi>InChI=1S/C12H5F11N2/c13-8(14,7-3-6(25)2-1-5(7)4-24)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-3H,25H2</inchi>
  <inchikey>PINWBOMNCWQGMS-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>4.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>386.168</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>386.0277086</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>NC1=CC=C(C#N)C(=C1)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>C12H5F11N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C12H5F11N2/c13-8(14,7-3-6(25)2-1-5(7)4-24)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-3H,25H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>PINWBOMNCWQGMS-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:0x00007f3baf986380&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>89852380</pubchem_compound_id>
  <chembl_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
