279635 <common-name>N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline</common-name> <description>N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C10H3F9N4O4 and an average molecular weight of 414.14 g/mol.</description> <cas>86870-50-0</cas> <pubchem-id>3070772</pubchem-id> <chemical-formula>C10H3F9N4O4</chemical-formula> <weight>414.14</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">2026-08-26T19:33:57Z</created-at> <updated-at type="dateTime">2026-08-26T19:33:57Z</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>C1=C(C=C(C(=C1[N+](=O)[O-])NN=C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-])C(F)(F)F</moldb-smiles> <moldb-formula>C10H3F9N4O4</moldb-formula> <moldb-inchi>InChI=1S/C10H3F9N4O4/c11-8(12,13)3-1-4(22(24)25)6(5(2-3)23(26)27)20-21-7(9(14,15)16)10(17,18)19/h1-2,20H</moldb-inchi> <moldb-inchikey>KFKVMKWTLGWUDA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">414.0010581</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.4</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>CHEM275528</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Trifluoromethylbenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0231687</sync-id> <structure-inchikey>KFKVMKWTLGWUDA-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000000000000000000000000000010000400000000000002000000400000000000000000000000000200000000000000000000000000000000000200020000000000008001804000000400000000000014000000200000000100000000000000000000000000000000000000000000000000000000000000000000082000000001000000000000000080000000000000000000000000000080100000040000000044000000000000000100000000000000000000000000000000000000000000000010000000000000010000000000000000002000040000000000000800000001000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAGwAAAIABBkBoAAAAAwMBBkAoAAAA AwQGQGgAAAADAwEGQCgAAAADBAZAKAAAAAMEBkAoAAAAAwQHICoAAAABAwQI ACgAAAADAgggKgAAAP8DAQcAaAAAAAMCAQcAKAAAAAMDBgAoAAAAAwQGACAA AAAECQAgAAAAAQkAIAAAAAEJACAAAAABBgAgAAAABAkAIAAAAAEJACAAAAAB CQAgAAAAAQcgKgAAAAEDBAgAKAAAAAMCCCAqAAAA/wMBBgAgAAAABAkAIAAA AAEJACAAAAABCQAgAAAAAQsAAWgMAQJoDAIDaAwDBGgMBAVoDAUGIAYHKAIG CCAECSAJCiAKCygCCwwADA0ADA4ADA8ACxAAEBEAEBIAEBMAAxQgFBUoAhQW IAEXABcYABcZABcaAAUAaAxCAQAAAAYABQQDAgEXBAAAAAAAAAAW </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:54:54Z</structure-indexed-at> </compound>