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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL336239
CHEMBL336239
Compound Name
ChEMBL Synonyms 3-(Trifluoromethyl)Phenylboronic Acid | 3-(Trifluoromethyl)Benzene Boronic Acid | 3-Trifluoromethylphenyl Boronic Acid
Max Phase 0
Trade Names
Molecular Formula C7H6BF3O2

Additional synonyms for CHEMBL336239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OB(O)c1cccc(c1)C(F)(F)F
Standard InChI InChI=1S/C7H6BF3O2/c9-7(10,11)5-2-1-3-6(4-5)8(12)13/h1-4,12- ...
Download InChI
Standard InChI Key WOAORAPRPVIATR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL336239

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
189.9 190.0413 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL336239

Compound Cross References

ChemSpider ChemSpider:WOAORAPRPVIATR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL336239



ACToR 1423-26-3
BindingDB 26124
eMolecules 507561
EPA CompTox Dashboard DTXSID20370277
IBM Patent System 19AED6A56ED552ABB4444809801C2C27
MolPort MolPort-000-139-887
Nikkaji J909.874G
PubChem 2734388
PubChem: Thomson Pharma 14867680
SureChEMBL SCHEMBL4995
ZINC ZINC000169743276

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/WOAORAPRPVIATR-UHFFFAOYSA-N spacer
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