Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AQ49F6UJ5G
EPA CompTox DTXSID50226713

Structure

InChI Key AVTAIKNWAIKGEV-UHFFFAOYSA-N
Smiles O=C(C(F)(F)F)C(Cl)(Cl)Cl
InChI
InChI=1/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9

Physicochemical Descriptors

Property Name Value
Molecular Formula C3Cl3F3O
Molecular Weight 213.9
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 758-42-9
NORMAN SUSDAT
FDA SRS AQ49F6UJ5G
PubChem 69796