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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL478511
CHEMBL478511
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C2Cl3F3

Additional synonyms for CHEMBL478511 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(Cl)C(F)(Cl)Cl
Standard InChI InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8
Standard InChI Key AJDIZQLSFPQPEY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL478511

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
187.4 185.9018 2.79 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
- - 3.2 3.2 0 8 0.55

Structural Alerts

There are 4 structural alerts for CHEMBL478511. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AJDIZQLSFPQPEY-UHFFFAOYSA-N
PubChem SID: 144207599
Wikipedia 1,1,2-Trichloro-1,2,2-trifluoroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL478511



ACToR 39349-94-5 76-13-1
eMolecules 500310
EPA CompTox Dashboard DTXSID6021377
FDA SRS 0739N04X3A
Human Metabolome Database HMDB31155
IBM Patent System A6E70AA4828A9E24FB798E0EDA7A608E
Mcule MCULE-8199403453
MolPort MolPort-001-777-194
Nikkaji J1.947J
NMRShiftDB 20162057
PubChem 6428
PubChem: Thomson Pharma 14794156
SureChEMBL SCHEMBL62713
ZINC ZINC000040454340

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