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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116574
CHEMBL116574
Compound Name
ChEMBL Synonyms 1,1,1,2,2,2-Hexafluoro-Ethane
Max Phase 0
Trade Names
Molecular Formula C2F6

Additional synonyms for CHEMBL116574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)C(F)(F)F
Standard InChI InChI=1S/C2F6/c3-1(4,5)2(6,7)8
Standard InChI Key WMIYKQLTONQJES-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116574

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
138 137.9904 2.2 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
- - 2.04 2.04 0 8 0.49

Structural Alerts

There are 3 structural alerts for CHEMBL116574. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WMIYKQLTONQJES-UHFFFAOYSA-N
Wikipedia Hexafluoroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116574



ACToR 185009-34-1 76-16-4
ChEBI 32905
eMolecules 495240
EPA CompTox Dashboard DTXSID2041915
FDA SRS 7VL5Z0IY3A
IBM Patent System 7CECF68E3DF7E5203781429BB993F9AD
MolPort MolPort-001-775-621
Nikkaji J352B
PubChem 6431
PubChem: Thomson Pharma 15321443
SureChEMBL SCHEMBL44994
ZINC ZINC000043356565

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