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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106634
CHEMBL2106634
Compound Name DICHLORODIFLUOROMETHANE
ChEMBL Synonyms DICHLORODIFLUOROMETHANE
Max Phase 0
Trade Names
Molecular Formula CCl2F2

Additional synonyms for CHEMBL2106634 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(Cl)Cl
Standard InChI InChI=1S/CCl2F2/c2-1(3,4)5
Standard InChI Key PXBRQCKWGAHEHS-UHFFFAOYSA-N

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106634

Molecule Features

CHEMBL2106634 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 DICHLORODIFLUOROMETHANE
The Cochrane Collaboration DICHLORODIFLUOROMETHANE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
120.9 119.9345 3.01 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
- - 2.05 2.05 0 5 0.43

Structural Alerts

There are 3 structural alerts for CHEMBL2106634. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PXBRQCKWGAHEHS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106634



ACToR 185009-39-6 75-71-8
eMolecules 915627
EPA CompTox Dashboard DTXSID6020436
FDA SRS OFM06SG1KO
Human Metabolome Database HMDB0029570
IBM Patent System 6BB1024004E77E7977949E4BF427788E
Mcule MCULE-7745165064
MolPort MolPort-001-778-470
Nikkaji J1.462A
NMRShiftDB 30000873
PubChem 6391
PubChem: Thomson Pharma 14818162
SureChEMBL SCHEMBL485
ZINC ZINC000008214541

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