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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1236265
CHEMBL1236265
Compound Name TRIFLUOROMETHANESULFONIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula CHF3O3S

Additional synonyms for CHEMBL1236265 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OS(=O)(=O)C(F)(F)F
Standard InChI InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
Standard InChI Key ITMCEJHCFYSIIV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1236265

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
150.1 149.9598 0.39 0 54.37 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
-3.91 - -1.06 -4.56 0 8 0.4

Structural Alerts

There are 9 structural alerts for CHEMBL1236265. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ITMCEJHCFYSIIV-UHFFFAOYSA-N
PubChem SID: 144212500

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1236265



ACToR 646-58-2 132645-03-5 1493-13-6 66178-41-4
ChEBI 48511
ChemicalBook CB7247316
eMolecules 484065
EPA CompTox Dashboard DTXSID2044397
FDA SRS JE2SY203E8
Human Metabolome Database HMDB0036577
IBM Patent System F68857319E7BBD7573F02B57D45757A9
Mcule MCULE-5133077095
MolPort MolPort-000-158-911
Nikkaji J12.301C
PDBe TFS
PubChem 62406 71773376
PubChem: Thomson Pharma 14772278
SureChEMBL SCHEMBL295
ZINC ZINC000011027584

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