<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308203</id>
  <title nil="true"/>
  <common-name>2-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane</common-name>
  <description>2-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a chemical compound with the formula C17H22BF3O2. It has an average molecular weight of 326.20 g/mol.</description>
  <cas>2223055-27-2</cas>
  <pubchem-id>133551558</pubchem-id>
  <chemical-formula>C17H22BF3O2</chemical-formula>
  <weight>326.2</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">2026-08-29T02:34:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T02:34:46Z</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>B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2C)C(F)(F)F)C3CC3</moldb-smiles>
  <moldb-formula>C17H22BF3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H22BF3O2/c1-10-8-13(17(19,20)21)12(11-6-7-11)9-14(10)18-22-15(2,3)16(4,5)23-18/h8-9,11H,6-7H2,1-5H3</moldb-inchi>
  <moldb-inchikey>IDRCWOFIVPIEBH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">326.1664946</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM304096</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>2-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0259230</sync-id>
  <structure-inchikey>IDRCWOFIVPIEBH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000010000000000000001000000000000000200000000000000000000000000000800000000100000000000000040000020001000000000000000800000000000000000800000000000000000000000000000000000004000000000000000100000000010020000000000000000000000101000000048000000000000080000000001000000000000000000000000100020000000000044000000000000080100002000000000040000000000000000000000000000000000000000000000000000000000000000202000000000040000000000000400000000000040000000000000800000000000000000800000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABBQAoAAAAAwMIACAAAAAC
BgAgAAAABAYAIAAAAAQIACAAAAACBgBgAAAAAQMGAGAAAAABAwYAYAAAAAED
BgBgAAAAAQMGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgA
AAADAwEGQCgAAAADBAYAYAAAAAEDBgAgAAAABAkAIAAAAAEJACAAAAABCQAg
AAAAAQYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgsAAQABAgACAwADBAADBQAD
BgACBwACCAAACQAJCmgMCgtoDAsMaAwMDWgMDQ5oDA4PAAwQABARABASABAT
AAsUABQVABUWAAQAAA4JaAwWFABCAwAAAAUBAAQDAgYKCwwNDgkDFRQWFwQA
AAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:16:09Z</structure-indexed-at>
</compound>
