Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y8W8899THA
EPA CompTox DTXSID30215645

Structure

InChI Key LVJZCPNIJXVIAT-UHFFFAOYSA-N
Smiles FC=1C(F)=C(F)C(C=C)=C(F)C1F
InChI
InChI=1/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3F5
Molecular Weight 194.02
AlogP 3.03
Number of Rotational Bond 1.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 653-34-9
NORMAN SUSDAT
FDA SRS Y8W8899THA
PubChem 69556