Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20205237

Structure

InChI Key CBHVWKVADDVCHE-UHFFFAOYSA-N
Smiles FC(F)=C(F)OC(F)(F)C(F)(F)Cl
InChI
InChI=1/C4ClF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7

Physicochemical Descriptors

Property Name Value
Molecular Formula C4ClF7O
Molecular Weight 231.95
AlogP 3.46
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 56672-52-7
NORMAN SUSDAT
PubChem 92489