Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10896618

Structure

InChI Key GHVOMBWCWWGKJR-UHFFFAOYSA-N
Smiles O=C(OC)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChI
InChI=1/C10H3F15O4/c1-27-4(26)5(14,15)6(16,17)9(22,23)29-7(18,8(19,20)21)10(24,25)28-3(13)2(11)12/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H3F15O4
Molecular Weight 471.98
AlogP 4.91
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 44.76
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 62361-02-8
NORMAN SUSDAT
PubChem 6365576