Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90881340

Structure

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

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 133080-89-4
NORMAN SUSDAT