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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL348290
CHEMBL348290
Compound Name TRICHLOROMONOFLUOROMETHANE
ChEMBL Synonyms FREON II | TRICHLOROMONOFLUOROMETHANE
Max Phase 0
Trade Names
Molecular Formula CCl3F

Additional synonyms for CHEMBL348290 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(Cl)(Cl)Cl
Standard InChI InChI=1S/CCl3F/c2-1(3,4)5
Standard InChI Key CYRMSUTZVYGINF-UHFFFAOYSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL348290

Molecule Features

CHEMBL348290 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TRICHLOROMONOFLUOROMETHANE
The Cochrane Collaboration TRICHLOROMONOFLUOROMETHANE

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
137.4 135.905 3.3 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
- - 2.44 2.44 0 5 0.45

Structural Alerts

There are 3 structural alerts for CHEMBL348290. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CYRMSUTZVYGINF-UHFFFAOYSA-N
PubChem SID: 144208388 SID: 17389696
Wikipedia Trichlorofluoromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL348290



ACToR 62185-70-0 75-69-4
Atlas Trichlorofluoromethane
ChEBI 48236
eMolecules 492341
EPA CompTox Dashboard DTXSID5021384
FDA SRS 990TYB331R
IBM Patent System 581E791B632F7118E7EFE31F56A3D4C1
Mcule MCULE-7944866153
MolPort MolPort-001-775-395
Nikkaji J1.461C
NMRShiftDB 30000829
PubChem 6389
PubChem: Thomson Pharma 15146688
SureChEMBL SCHEMBL1320
ZINC ZINC000008214698

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