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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL502216
CHEMBL502216
Compound Name CHLOROPENTAFLUOROETHANE
ChEMBL Synonyms E945
Max Phase 0
Trade Names
Molecular Formula C2ClF5

Additional synonyms for CHEMBL502216 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)C(F)(F)Cl
Standard InChI InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8
Standard InChI Key RFCAUADVODFSLZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL502216

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
154.5 153.9609 2.39 1 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
- - 2.47 2.47 0 8 0.4

Structural Alerts

There are 5 structural alerts for CHEMBL502216. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFCAUADVODFSLZ-UHFFFAOYSA-N
Wikipedia Chloropentafluoroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL502216



ACToR 76-15-3 12770-91-1
EPA CompTox Dashboard DTXSID3026435
FDA SRS SJG47X19V4
Human Metabolome Database HMDB0031333
IBM Patent System E8AB99D58E113C3057F8A293B7D7BA18
MolPort MolPort-003-993-794
Nikkaji J1.946A
NMRShiftDB 74265
PubChem 6430
PubChem: Thomson Pharma 15170946
SureChEMBL SCHEMBL341488
ZINC ZINC000042804200

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