Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID701004000

Structure

InChI Key OLZWAIIFDODWMH-UHFFFAOYSA-N
Smiles FC(F)=C(F)OC(F)(F)C(F)(Cl)C(F)(F)F
InChI
InChI=1/C5ClF9O/c6-3(10,4(11,12)13)5(14,15)16-2(9)1(7)8

Physicochemical Descriptors

Property Name Value
Molecular Formula C5ClF9O
Molecular Weight 281.95
AlogP 4.1
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 83877-85-4
NORMAN SUSDAT
PubChem 6365902