Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6ESC4BZ3FK
EPA CompTox DTXSID3059925

Structure

InChI Key UBMQHNSEGKYMTP-UHFFFAOYSA-N
Smiles C(OC(C(C(C(C(C(OCC)=O)(F)F)(F)F)(F)F)(F)F)=O)C
InChI
InChI=1S/C10H10F8O4/c1-3-21-5(19)7(11,12)9(15,16)10(17,18)8(13,14)6(20)22-4-2/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10F8O4
Molecular Weight 346.05
AlogP 2.65
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 52.6
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 376-50-1
NORMAN SUSDAT
FDA SRS 6ESC4BZ3FK
PubChem 67825
ChemSpider 61142.0