Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Q1D0Q7R4D9
EPA CompTox DTXSID5046560

Structure

InChI Key WTWWXOGTJWMJHI-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
InChI
InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26

Physicochemical Descriptors

Property Name Value
Molecular Formula C8Br1F17
Molecular Weight 497.89
AlogP 6.35
Number of Rotational Bond 6.0
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 423-55-2
NORMAN SUSDAT
FDA SRS Q1D0Q7R4D9
PubChem 9873
ChemSpider 9489.0