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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116838
CHEMBL116838
Compound Name FLUOROMETHANE
ChEMBL Synonyms Fluoromethane
Max Phase 0
Trade Names
Molecular Formula CH3F

Additional synonyms for CHEMBL116838 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CF
Standard InChI InChI=1S/CH3F/c1-2/h1H3
Standard InChI Key NBVXSUQYWXRMNV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL116838

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
34 34.0219 0.59 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
- - .7 .7 0 2 0.37

Structural Alerts

There are no structural alerts for CHEMBL116838

Compound Cross References

ChemSpider ChemSpider:NBVXSUQYWXRMNV-UHFFFAOYSA-N
Wikipedia Fluoromethane

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116838



ACToR 593-53-3 13453-52-6 36572-92-6
Brenda 136294 151968
ChEBI 28826
ChemicalBook CB4223265
eMolecules 514441
EPA CompTox Dashboard DTXSID6060474
FDA SRS 54A9X6F0CM
KEGG Ligand C11147
Mcule MCULE-7578803951
MolPort MolPort-046-156-279 MolPort-000-157-201
Nikkaji J2.696D J1.245.458I J298.853D
NMRShiftDB 20028916
PDBe CF0
PubChem 11638
PubChem: Thomson Pharma 14747269 50099226
SureChEMBL SCHEMBL9526

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