Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FE8DD6PKW2
EPA CompTox DTXSID70200974

Structure

InChI Key YQOQOCUGIYCMRF-UHFFFAOYSA-N
Smiles COC(=O)c1cc(F)c(cc1F)C(=O)OC
InChI
InChI=1S/C10H8F2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8F2O4
Molecular Weight 230.04
AlogP 1.54
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 52.6
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 5292-51-3
NORMAN SUSDAT
FDA SRS FE8DD6PKW2
PubChem 79179
ChemSpider 71506.0