Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WT6K3FYP2M
EPA CompTox DTXSID3059898

Structure

InChI Key RULVRLLGHXQORW-UHFFFAOYSA-N
Smiles O=C(F)C1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4F4O
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 368-94-5
NORMAN SUSDAT
FDA SRS WT6K3FYP2M
PubChem 67784