Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5JRN70Y38I
EPA CompTox DTXSID90872298

Structure

InChI Key BPHQIXJDBIHMLT-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)F
InChI
InChI=1S/C10F22/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32

Physicochemical Descriptors

Property Name Value
Molecular Formula C10F22
Molecular Weight 537.96
AlogP 7.19
Number of Rotational Bond 7.0
Heavy Atoms 32.0

Cross References

Resources Reference
CAS NUMBER 307-45-9
NORMAN SUSDAT
FDA SRS 5JRN70Y38I
PubChem 120203