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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116813
CHEMBL116813
Compound Name
ChEMBL Synonyms Dichloro-fluoro-methane
Max Phase 0
Trade Names
Molecular Formula CHCl2F

Additional synonyms for CHEMBL116813 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(Cl)Cl
Standard InChI InChI=1S/CHCl2F/c2-1(3)4/h1H
Standard InChI Key UMNKXPULIDJLSU-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116813

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
102.9 101.9439 1.42 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
- - 1.48 1.48 0 4 0.41

Structural Alerts

There are 5 structural alerts for CHEMBL116813. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMNKXPULIDJLSU-UHFFFAOYSA-N
Wikipedia Dichlorofluoromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116813



ACToR 75-43-4 39289-28-6
eMolecules 495227
EPA CompTox Dashboard DTXSID7052498
FDA SRS 7GAO4CRJ0B
IBM Patent System 0BC73460E4708C6FBE095C100CE41CD6
MolPort MolPort-003-929-447
Nikkaji J1.454K
PubChem 6370
PubChem: Thomson Pharma 15194282
SureChEMBL SCHEMBL9376
ZINC ZINC000043356624

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