Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HR2AZZ54LC
EPA CompTox DTXSID60226608

Structure

InChI Key XSEUCSPTQSHAQM-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)OCCOC
InChI
InChI=1/C5H8F4O2/c1-10-2-3-11-5(8,9)4(6)7/h4H,2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8F4O2
Molecular Weight 176.05
AlogP 1.51
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 757-17-5
NORMAN SUSDAT
FDA SRS HR2AZZ54LC
PubChem 69791