Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TK0PEB8Q3S
EPA CompTox DTXSID60378853

Structure

InChI Key GFQXWORJCNTDPU-UHFFFAOYSA-N
Smiles FC(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChI
InChI=1S/C8Cl2F16/c9-7(23,24)5(19,20)3(15,16)1(11,12)2(13,14)4(17,18)6(21,22)8(10,25)26

Physicochemical Descriptors

Property Name Value
Molecular Formula C8Cl2F16
Molecular Weight 469.91
AlogP 6.46
Number of Rotational Bond 7.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 647-25-6
NORMAN SUSDAT
FDA SRS TK0PEB8Q3S
PubChem 2774033
ChemSpider 2054442.0