Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00880228

Structure

InChI Key UPMGUZUMWYWMKI-UHFFFAOYSA-N
Smiles CC(O)C(F)(F)C(F)F
InChI
InChI=1S/C4H6F4O/c1-2(9)4(7,8)3(5)6/h2-3,9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6F4O1
Molecular Weight 146.04
AlogP 1.27
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 17425-25-1
NORMAN SUSDAT
PubChem 28533
ChemSpider 26546.0