Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50378443

Structure

InChI Key JBQWCKCORXWVOG-UHFFFAOYSA-N
Smiles CCCCCCC(F)(F)C(F)(F)Br
InChI
InChI=1S/C8H13BrF4/c1-2-3-4-5-6-7(10,11)8(9,12)13/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13Br1F4
Molecular Weight 264.01
AlogP 4.58
Number of Rotational Bond 6.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 231630-92-5
NORMAN SUSDAT
PubChem 2773411
ChemSpider 2053828.0