<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-19 04:38:41 UTC</creation_date>
  <update_date>2026-08-26 00:19:48 UTC</update_date>
  <accession/>
  <common_name>Trifluoromethane</common_name>
  <class>SmallMolecule</class>
  <description>Trifluoromethane is an organohalogen compound with the chemical formula CHF3 and an average molecular weight of 70.01 g/mol. Trifluoromethane belongs to the halomethanes, a subclass of alkyl halides within the organic compounds.

Industrially, this compound is utilized as a refrigerant and as a fire extinguishing agent. It is found in or released from 40 recorded sources across several categories. Within electrical and electronic equipment, it is associated with amplifiers, antennas, adjustable resistors, auxiliary devices, and coils, among 22 other items. In the realm of household cleaning and consumer products, it is found in bleaching agents, soap detergents, perfumes within detergents and soaps, cigar cigarettes, and pipe accessories, as well as two additional products. Furthermore, trifluoromethane is linked to food, cookware, and food processing, specifically in the treatment of hops, food preservation, the preparation of vinegar, and fermentation processes for beer. In building and construction, the compound is released from roofs and ceilings.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>CHF3</chemical_formula>
  <average_molecular_weight>70.0138</average_molecular_weight>
  <monisotopic_moleculate_weight>70.003034647</monisotopic_moleculate_weight>
  <iupac_name>trifluoromethane</iupac_name>
  <traditional_iupac>trifluoromethane</traditional_iupac>
  <cas_registry_number>75-46-7</cas_registry_number>
  <smiles>FC(F)F</smiles>
  <inchi>InChI=1S/CHF3/c2-1(3)4/h1H</inchi>
  <inchikey>XPDWGBQVDMORPB-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organohalogen compounds</super_class>
    <class>Alkyl halides</class>
    <sub_class>Halomethanes</sub_class>
    <direct_parent>Trihalomethanes</direct_parent>
    <alternate_parents>
      <alternative_parent>Alkyl fluorides</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Hydrofluorocarbons</alternative_parent>
      <alternative_parent>Organofluorides</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Alkyl fluoride</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Hydrofluorocarbon</substituent>
      <substituent>Organofluoride</substituent>
      <substituent>Trihalomethane</substituent>
    </substituents>
    <molecular_framework>Aliphatic acyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>fluoromethanes</descriptor>
      <descriptor>one-carbon compound</descriptor>
    </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>1.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>0.97</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.40</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>2.78e+01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.21</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>trifluoromethane</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>70.0138</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>70.003034647</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>FC(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>CHF3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/CHF3/c2-1(3)4/h1H</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XPDWGBQVDMORPB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>6.86</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>2.89</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bd001d340&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>6373</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>21106179</chemspider_id>
  <kegg_id/>
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  <biocyc_id/>
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</compound>
