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

Structure

InChI Key HKAWJXVJGNTQMW-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)CBr
InChI
InChI=1S/C3H2BrF5/c4-1-2(5,6)3(7,8)9/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2Br1F5
Molecular Weight 211.93
AlogP 2.58
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 422-01-5
NORMAN SUSDAT