Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WC4FPA9BCM
EPA CompTox DTXSID20861913

Structure

InChI Key LUYQYZLEHLTPBH-UHFFFAOYSA-N
Smiles O=[S](C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(=O)F
InChI
InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16

Physicochemical Descriptors

Property Name Value
Molecular Formula C4F10O2S1
Molecular Weight 301.95
AlogP 2.71
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 34.14
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 375-72-4
NORMAN SUSDAT
FDA SRS WC4FPA9BCM
PubChem 67814
ChemSpider 61131.0