Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID6068985

Structure

InChI Key JPMHUDBOKDBBLG-UHFFFAOYSA-N
Smiles OCCC(F)(F)C(F)(F)F
InChI
InChI=1S/C4H5F5O/c5-3(6,1-2-10)4(7,8)9/h10H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5F5O1
Molecular Weight 164.03
AlogP 1.57
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 54949-74-5
NORMAN SUSDAT
PubChem 108644
ChemSpider 97689.0