Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 572FKY68D2
EPA CompTox DTXSID70177814

Structure

InChI Key AXCOCGJDERQVDK-UHFFFAOYSA-N
Smiles FC=1C=C(F)C(F)=C(OC)C1F
InChI
InChI=1/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4F4O
Molecular Weight 180.02
AlogP 2.25
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2324-98-3
NORMAN SUSDAT
FDA SRS 572FKY68D2
PubChem 75351