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

Structure

InChI Key UBSZSCBAJXCXOO-UHFFFAOYSA-N
Smiles FC(C(F)(F)F)C(F)(F)Br
InChI
InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H1Br1F6
Molecular Weight 229.92
AlogP 2.87
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2252-78-0
NORMAN SUSDAT