Keyword(s): Human Metabolites
Molecule Category Free-form
UNII OZ6T850AR0
EPA CompTox DTXSID4059881

Structure

InChI Key MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Smiles COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3F7O2
Molecular Weight 228.0
AlogP 1.99
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 356-24-1
NORMAN SUSDAT
FDA SRS OZ6T850AR0
PubChem 67741
ChemSpider 61060.0