Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 26635ZC6GJ
EPA CompTox DTXSID30185132

Structure

InChI Key MPSOUKZPIUZZDZ-UHFFFAOYSA-N
Smiles O=C(F)C=1C=CC=CC1C(F)(F)F
InChI
InChI=1/C8H4F4O/c9-7(13)5-3-1-2-4-6(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 312-96-9
NORMAN SUSDAT
FDA SRS 26635ZC6GJ
PubChem 67563