Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40380797

Structure

InChI Key PGUFRYZQAPBGDW-UHFFFAOYSA-N
Smiles OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
InChI
InChI=1S/C7H3F13O4/c8-2(9,1-21)22-3(10,11)4(12,13)23-5(14,15)6(16,17)24-7(18,19)20/h21H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F13O4
Molecular Weight 397.98
AlogP 3.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 47.92
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 147492-57-7
NORMAN SUSDAT
PubChem 2778161
ChemSpider 2058420.0