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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2008338
CHEMBL2008338
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6HF11O3

Additional synonyms for CHEMBL2008338 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
Standard InChI InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5 ...
Download InChI
Standard InChI Key CSEBNABAWMZWIF-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL2008338

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
330.1 329.975 3.57 6 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-1.36 - 6.33 2.58 0 20 0.76

Structural Alerts

There are 8 structural alerts for CHEMBL2008338. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CSEBNABAWMZWIF-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2008338



ACToR 26099-32-1 13252-13-6
eMolecules 891238
IBM Patent System 907DD219AB61085096EF38AB80345434
MolPort MolPort-001-775-695
Nikkaji J213.780A
PubChem 114481
SureChEMBL SCHEMBL2887903

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