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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
IBM Patents US5037919 US20030183337 US4615822 US20060275556 US20070105375 EP1129226A1 EP0700393B1 US3947567 EP1561784A1 US6906845 EP0859821B1 US20100158814 WO2008062908A1 WO2007061596A1 US7670490 US4419404 US6853405 EP1245657A1 US6630520 US20080202922 US20090247659 WO1999035458A1 US7525120 US5038713 US4844955 US7407818 US20080311329 EP1140059A2 EP1114881A1 US20090085129 US4087222 WO2000003432A1 EP0499200A2 WO2010022009A2 US5154846 EP1682253A1 EP0910605B1 EP0337127B1 US6120751 WO2004105731A1 WO2004005382A1 US7132073 WO2000061654A1 US20060263432 EP0976781A3 US6951810 US4673730 EP0907402A1 US20050029492 WO2000078171A1 EP1012635B1 US6562320 EP0730434B1 US5940699 EP0239028B1 US4069012 US20030054027 US20080081885 WO1998045503A1 US20070213416 EP1387637B1 EP1016836A3 EP0103441A1 US20100224264 US5378492 US5461098 US20030059465 US6723793 US20090148348 US6433053 US6126920 US20070128117 WO2007027584A2 EP0650158B1 US7569252 US20070000868 US5407965 US20080146686 WO2001094031A2 US5547998 US5853225 EP0337127A1 EP0397698B1 WO1999055837A2 US7776741 US20050123482 US5962545 EP0010931A1 US5496595 US20040168771 US20050260094 EP1420759B1 EP1073473B1 US20020142600 US20030213939 EP0351812B1 EP1790643A1 EP2007587A1 US6184426 EP1270209B1
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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