Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KPV81L86O0
EPA CompTox DTXSID5027140

Structure

InChI Key BHFJBHMTEDLICO-UHFFFAOYSA-N
Smiles O=[S](C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)F
InChI
InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28

Physicochemical Descriptors

Property Name Value
Molecular Formula C8F18O2S1
Molecular Weight 501.93
AlogP 5.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 34.14
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 307-35-7
NORMAN SUSDAT
FDA SRS KPV81L86O0
PubChem 9388
ChemSpider 9019.0