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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116155
CHEMBL116155
Compound Name
ChEMBL Synonyms Chloro-Difluoro-Methane
Max Phase 0
Trade Names
Molecular Formula CHClF2

Additional synonyms for CHEMBL116155 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)Cl
Standard InChI InChI=1S/CHClF2/c2-1(3)4/h1H
Standard InChI Key VOPWNXZWBYDODV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116155

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
86.5 85.9735 1.22 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
- - 1.1 1.1 0 4 0.39

Structural Alerts

There are 5 structural alerts for CHEMBL116155. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VOPWNXZWBYDODV-UHFFFAOYSA-N
Wikipedia Chlorodifluoromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116155



ACToR 75-45-6 134191-96-1
ChEBI 82417
eMolecules 915505
EPA CompTox Dashboard DTXSID6020301
FDA SRS ZFO627O6CN
KEGG Ligand C19361
MolPort MolPort-001-772-235
Nikkaji J1.455I
PubChem 6372
PubChem: Thomson Pharma 14991877
SureChEMBL SCHEMBL3881
ZINC ZINC000043356566

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