Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20881196

Structure

InChI Key GSGMLVXKSLFVQP-UHFFFAOYSA-N
Smiles FC(F)(F)C(=C1C(F)(OCCOC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H4F16O2/c12-6(11(25,26)27)3(4(7(13,14)15)8(16,17)18)5(9(19,20)21,10(22,23)24)28-1-2-29-6/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H4F16O2
Molecular Weight 472.0
AlogP 5.55
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 94333-56-9
NORMAN SUSDAT
PubChem 11971371
ChemSpider 10144752.0