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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL499553
CHEMBL499553
Compound Name DIBROMODIFLUOROMETHANE
ChEMBL Synonyms Dibromodifluoromethane
Max Phase 0
Trade Names
Molecular Formula CBr2F2

Additional synonyms for CHEMBL499553 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(Br)Br
Standard InChI InChI=1S/CBr2F2/c2-1(3,4)5
Standard InChI Key AZSZCFSOHXEJQE-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL499553

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
209.8 207.8335 2.33 0 0 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
0 0 0 0 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.32 2.32 0 5 0.54

Structural Alerts

There are 4 structural alerts for CHEMBL499553. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AZSZCFSOHXEJQE-UHFFFAOYSA-N
Wikipedia Dibromodifluoromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL499553



ACToR 75-61-6
eMolecules 499545
EPA CompTox Dashboard DTXSID9058789
FDA SRS 82022727JD
IBM Patent System DCAA7232FEB74DD6FA1E7EED5E16D758
Mcule MCULE-2087970018
MolPort MolPort-001-773-090
Nikkaji J10.975D
NMRShiftDB 30000876
PubChem 6382
PubChem: Thomson Pharma 14773286
SureChEMBL SCHEMBL102197
ZINC ZINC000049889523

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