Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZFQ5U94P9E
EPA CompTox DTXSID1059816

Structure

InChI Key LTHOSILCKUBBIS-UHFFFAOYSA-N
Smiles FC(=O)c1cccc(c1)C(F)(F)F
InChI
InChI=1S/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4F4O1
Molecular Weight 192.02
AlogP 2.82
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 328-99-4
NORMAN SUSDAT
FDA SRS ZFQ5U94P9E
PubChem 67606
ChemSpider 60926.0