Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60194979

Structure

InChI Key OHXFFMAUQJFAAF-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)OC=1C=CC=CC1C
InChI
InChI=1/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8F4O
Molecular Weight 208.05
AlogP 3.23
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 42145-66-4
NORMAN SUSDAT
PubChem 2776650