Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Y27QD2KWG8
EPA CompTox DTXSID3060958

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4F4O
Molecular Weight 192.02
AlogP 2.57
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 655-32-3
NORMAN SUSDAT
FDA SRS Y27QD2KWG8
PubChem 69564