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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2220705
CHEMBL2220705
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula BF3

Additional synonyms for CHEMBL2220705 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FB(F)F
Standard InChI InChI=1S/BF3/c2-1(3)4
Standard InChI Key WTEOIRVLGSZEPR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2220705

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
67.8 68.0045 - - - -


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 CHEMBL2220705

Compound Cross References

ChemSpider ChemSpider:WTEOIRVLGSZEPR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2220705



ACToR 7637-07-2 109704-87-2 15875-25-9 20654-88-0
ChEBI 33093
eMolecules 483923
EPA CompTox Dashboard DTXSID7041677
FDA SRS 7JGD48PX8P
Mcule MCULE-1704429390
MolPort MolPort-001-771-920
Nikkaji J2.264K
NMRShiftDB 30000881
PubChem 6356
PubChem: Thomson Pharma 15119600
SureChEMBL SCHEMBL780
ZINC ZINC000242701933

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