Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90897547

Structure

InChI Key JAOWZDLPVXXXMW-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(OCCC[SiH2]C(Cl)Cl)C(F)(F)F
InChI
InChI=1/C7H9Cl2F7OSi/c8-4(9)18-3-1-2-17-5(10,6(11,12)13)7(14,15)16/h4H,1-3,18H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9Cl2F7OSi
Molecular Weight 339.97
AlogP 3.53
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 20006-68-2
NORMAN SUSDAT
PubChem 71358727