<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">13596</id>
  <title nil="true"/>
  <common-name>2-[Methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate</common-name>
  <description>2-[Methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 539.31 g/mol, 2-[Methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate is a heavy molecule. This compound is characterized by the chemical formula C14H14F13NO4S.

The substance is found in or released from 13 recorded sources across several diverse sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, printed circuit boards, batteries, and wires and cables, among one other 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. Additionally, the compound is found in medical devices used in healthcare, pharmaceuticals and veterinary products. In the energy, oil and gas sector and industrial manufacturing and chemical processing sector, it is utilized in lubricants. One further sector is also recorded. Recorded exposure routes for this compound include oral, inhalation, and touch.</description>
  <cas>49859-70-3</cas>
  <pubchem-id>162085</pubchem-id>
  <chemical-formula>C14H14F13NO4S</chemical-formula>
  <weight>539.31</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T03:56:46Z</created-at>
  <updated-at type="dateTime">2026-08-19T05:13:29Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles nil="true"/>
  <moldb-formula>C14H14F13NO4S</moldb-formula>
  <moldb-inchi>InChI=1S/C14H14F13NO4S/c1-3-8(29)32-6-5-28(2)33(30,31)7-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h3H,1,4-7H2,2H3</moldb-inchi>
  <moldb-inchikey>HATNGDPVYXXGKR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">539.31</moldb-average-mass>
  <moldb-mono-mass type="decimal">539.0435952</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>142350</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM012491</chemdb-id>
  <dsstox-id>DTXSID0068523</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00011049</susdat-id>
  <iupac>2-[methyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)amino]ethyl prop-2-enoate</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Acrylic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0084538</sync-id>
  <structure-inchikey nil="true"/>
  <structure-fingerprint nil="true"/>
  <structure-pattern-fingerprint nil="true"/>
  <structure-pickle type="binary" nil="true" encoding="base64"/>
  <structure-indexed-at type="dateTime" nil="true"/>
</compound>
