Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EE7GL26Y7D
EPA CompTox DTXSID90184727

Structure

InChI Key HYZQZWDYBKVIRI-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C14F30/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44

Physicochemical Descriptors

Property Name Value
Molecular Formula C14F30
Molecular Weight 737.95
AlogP 9.73
Number of Rotational Bond 11.0
Heavy Atoms 44.0

Cross References

Resources Reference
CAS NUMBER 307-62-0
NORMAN SUSDAT
FDA SRS EE7GL26Y7D
PubChem 2776371
ChemSpider 2056689.0