Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50232778

Structure

InChI Key GIGWRVLNOYPOIT-UHFFFAOYSA-N
Smiles O=C(C1=CC=C(OC(F)F)C=C1)C
InChI
InChI=1/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8F2O2
Molecular Weight 186.05
AlogP 2.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 83882-67-1
NORMAN SUSDAT
PubChem 737356