Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40880540

Structure

InChI Key OSYDIIQLLFZQKP-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(Cl)=O
InChI
InChI=1S/C6H2ClF9O/c7-2(17)1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl1F9O1
Molecular Weight 295.97
AlogP 3.61
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 64018-24-2
NORMAN SUSDAT
PubChem 3017476
ChemSpider 2285209.0