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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

Structural Alerts

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

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

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
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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