Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50881341

Structure

InChI Key YNBWNZPDOMGTFG-UHFFFAOYSA-N
Smiles FC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C8F18O/c9-1(10,2(11,12)4(15,16)6(19,20)21)3(13,14)5(17,18)7(22,23)27-8(24,25)26

Physicochemical Descriptors

Property Name Value
Molecular Formula C8F18O1
Molecular Weight 453.97
AlogP 5.85
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 9.23
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 133881-46-6
NORMAN SUSDAT