Keyword(s): Drinking Water Chemicals
Molecule Category Free-form
EPA CompTox DTXSID80873012

Structure

InChI Key QZHDEAJFRJCDMF-UHFFFAOYSA-M
Smiles [O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F13O3S
Molecular Weight 398.94
AlogP 3.23
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 57.2
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 108427-53-8
NORMAN SUSDAT