Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60185221

Structure

InChI Key JDCMOHAFGDQQJX-UHFFFAOYSA-N
Smiles FC1=C(F)C2=C(C(F)=C1F)C(F)=C(F)C(F)=C2F
InChI
InChI=1S/C10F8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12

Physicochemical Descriptors

Property Name Value
Molecular Formula C10F8
Molecular Weight 271.99
AlogP 3.95
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 313-72-4
NORMAN SUSDAT
PubChem 67564
ChemSpider 60886.0