Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90881284

Structure

InChI Key JOMJXRTUQWIHQD-UHFFFAOYSA-N
Smiles COC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)=O)C(F)(F)F
InChI
InChI=1S/C10H3F15O5/c1-28-3(27)4(12,13)9(22,23)30-6(15,8(19,20)21)10(24,25)29-5(14,2(11)26)7(16,17)18/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H3F15O5
Molecular Weight 487.97
AlogP 3.97
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 8.0
Polar Surface Area 61.83
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 69116-73-0
NORMAN SUSDAT
PubChem 94650
ChemSpider 85407.0