Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G6975BUY8I
EPA CompTox DTXSID6042028

Structure

InChI Key UJIGKESMIPTWJH-UHFFFAOYSA-N
Smiles FC(Cl)C(F)(F)C(F)(F)Cl
InChI
InChI=1/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3HCl2F5
Molecular Weight 201.94
AlogP 2.99
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 507-55-1
NORMAN SUSDAT
FDA SRS G6975BUY8I
PubChem 62353