Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NFP7F6MDR9
EPA CompTox DTXSID2063218

Structure

InChI Key QWCHHUZAAGRHDB-UHFFFAOYSA-N
Smiles FC=1C=C(F)C(F)=C(C1F)C=2C(F)=C(F)C=C(F)C2F
InChI
InChI=1/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H2F8
Molecular Weight 298.0
AlogP 4.47
Number of Rotational Bond 1.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 3883-86-1
NORMAN SUSDAT
FDA SRS NFP7F6MDR9
PubChem 77492