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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL325493
CHEMBL325493
Compound Name
ChEMBL Synonyms 1,1-Difluoro-Ethane
Max Phase 0
Trade Names
Molecular Formula C2H4F2

Additional synonyms for CHEMBL325493 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(F)F
Standard InChI InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3
Standard InChI Key NPNPZTNLOVBDOC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL325493

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
66.1 66.0281 0.66 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
- - .96 .96 0 4 0.39

Structural Alerts

There are no structural alerts for CHEMBL325493

Compound Cross References

ChemSpider ChemSpider:NPNPZTNLOVBDOC-UHFFFAOYSA-N
Wikipedia 1,1-Difluoroethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL325493



ACToR 71281-71-5 75-37-6
eMolecules 495233
EPA CompTox Dashboard DTXSID0024050
FDA SRS 0B1U8K2ME0
Mcule MCULE-1642052461
MolPort MolPort-000-154-349
Nikkaji J2.819C
PubChem 6368
PubChem: Thomson Pharma 15194138
SureChEMBL SCHEMBL19049 SCHEMBL16144920
ZINC ZINC000043860508

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