Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7B25Z22EPV
EPA CompTox DTXSID6049272

Structure

InChI Key OIRDBPQYVWXNSJ-UHFFFAOYSA-N
Smiles COS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3F3O3S1
Molecular Weight 163.98
AlogP 0.48
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 333-27-7
NORMAN SUSDAT
FDA SRS 7B25Z22EPV
PubChem 9526
ChemSpider 9153.0