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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444147
CHEMBL444147
Compound Name PERFLUOROCYCLOBUTANE
ChEMBL Synonyms E946
Max Phase 0
Trade Names
Molecular Formula C4F8

Additional synonyms for CHEMBL444147 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC1(F)C(F)(F)C(F)(F)C1(F)F
Standard InChI InChI=1S/C4F8/c5-1(6)2(7,8)4(11,12)3(1,9)10
Standard InChI Key BCCOBQSFUDVTJQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL444147

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
200 199.9872 1.97 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
- - 2.01 2.01 0 12 0.52

Structural Alerts

There are 5 structural alerts for CHEMBL444147. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BCCOBQSFUDVTJQ-UHFFFAOYSA-N
Wikipedia Octafluorocyclobutane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444147



ACToR 115-25-3
ChEBI 31007
eMolecules 910334
EPA CompTox Dashboard DTXSID9041811
FDA SRS V9P1D0A21K
Human Metabolome Database HMDB31292
IBM Patent System 5CE79A6BEED087EB5899F47B67429C1E
MolPort MolPort-000-158-017
Nikkaji J380H
PubChem 8263
PubChem: Thomson Pharma 14797480
SureChEMBL SCHEMBL24521

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