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

Structure

InChI Key ZWVOHERGWLDGFT-UHFFFAOYSA-N
Smiles Fc1cc(c(F)c(F)c1F)C(F)(F)F
InChI
InChI=1S/C7HF7/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H1F7
Molecular Weight 218.0
AlogP 3.26
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 654-53-5
NORMAN SUSDAT