Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50880213

Structure

InChI Key DSKGYKJXZRFRDP-UHFFFAOYSA-N
Smiles COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F11O3/c1-20-2(19)3(8,5(11,12)13)21-7(17,18)4(9,10)6(14,15)16/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F11O3
Molecular Weight 343.99
AlogP 3.19
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 13140-34-6
NORMAN SUSDAT
PubChem 139392
ChemSpider 122919.0