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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL115586
CHEMBL115586
Compound Name
ChEMBL Synonyms 2-Fluoro-Ethanol
Max Phase 0
Trade Names
Molecular Formula C2H5FO

Additional synonyms for CHEMBL115586 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCF
Standard InChI InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
Standard InChI Key GGDYAKVUZMZKRV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL115586

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
64.1 64.0324 0.04 1 20.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.92 - -.4 -.4 0 4 0.46

Structural Alerts

There are 3 structural alerts for CHEMBL115586. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GGDYAKVUZMZKRV-UHFFFAOYSA-N
Wikipedia 2-Fluoroethanol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL115586



ACToR 63919-01-7 371-62-0
Brenda 29382 104614
eMolecules 484207
EPA CompTox Dashboard DTXSID0059902
FDA SRS 4M427A5HML
Mcule MCULE-7590677201
MolPort MolPort-001-771-679
Nikkaji J5.709F
NMRShiftDB 10354
PubChem 9737
PubChem: Thomson Pharma 14940408
SureChEMBL SCHEMBL8683
ZINC ZINC000043352750

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