82705 <common-name>2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one</common-name> <description>2,2,2-Trifluoro-1-(3-nitrophenyl)ethan-1-one belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C8H5F3NO3 and an average molecular weight of 219.12 g/mol.</description> <cas>657-15-8</cas> <pubchem-id>69566</pubchem-id> <chemical-formula>C8H5F3NO3</chemical-formula> <weight>219.12</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">2026-04-04T19:01:35Z</created-at> <updated-at type="dateTime">2026-08-24T19:30:38Z</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>[O-][N+](=O)C1=CC=CC(=C1)C(=O)C(F)(F)F</moldb-smiles> <moldb-formula>C8H5F3NO3</moldb-formula> <moldb-inchi>InChI=1/C8H4F3NO3/c9-8(10,11)7(13)5-2-1-3-6(4-5)12(14)15/h1-4H</moldb-inchi> <moldb-inchikey>QADCNGZPRUSTJL-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">219.119</moldb-average-mass> <moldb-mono-mass type="decimal">220.0221527</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.5</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM078598</chemdb-id> <dsstox-id>DTXSID00215915</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00042264</susdat-id> <iupac>2,2,2-trifluoro-1-(3-nitrophenyl)ethanone</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0079404</sync-id> <structure-inchikey>QADCNGZPRUSTJL-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000000004000000000000000000000000000000000000000000000020200000000000000000000000000000000000000020000000000000001000000000400000000000010000000200000000100008000000000000000000000000000000000001000000000000800000000000000000000000001000000000000000000020000000000000000000000000084000000000000000040000000000000000000000000000000000000020000000000000000000000000000000040208000000000000400000000000000040000000000400800800001000004000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAPAAAADwAAAIABCCAqAAAA/wMBByAqAAAA AQMECAAoAAAAAwIGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD AQZAKAAAAAMEBkBoAAAAAwMBBgAoAAAAAwQIACgAAAADAgYAIAAAAAQJACAA AAABCQAgAAAAAQkAIAAAAAELAAEgAQIoAgEDIAMEaAwEBWgMBQZoDAYHaAwH CGgMBwkgCQooAgkLAAsMAAsNAAsOAAgDaAxCAQAAAAYDCAcGBQQXBAAAAAAA AAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:28:47Z</structure-indexed-at> </compound>