Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VJ2NZ9XZY5
EPA CompTox DTXSID2067907

Structure

InChI Key LAFOZKQZOGJYKC-UHFFFAOYSA-N
Smiles O=CC=1C=CC=C(OC(F)(F)C(F)F)C1
InChI
InChI=1/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6F4O2
Molecular Weight 222.03
AlogP 2.74
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 35295-35-3
NORMAN SUSDAT
FDA SRS VJ2NZ9XZY5
PubChem 118803