Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7894CCY27N
EPA CompTox DTXSID00188998

Structure

InChI Key CDAVUOSPHHTNBU-UHFFFAOYSA-N
Smiles FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C7F14/c8-1(2(9)10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)21

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F14
Molecular Weight 349.98
AlogP 5.17
Number of Rotational Bond 4.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 355-63-5
NORMAN SUSDAT
FDA SRS 7894CCY27N
PubChem 67737
ChemSpider 61056.0