Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I23ZVD1P1L
EPA CompTox DTXSID8052019

Structure

InChI Key LGUZHRODIJCVOC-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F16
Molecular Weight 387.97
AlogP 5.29
Number of Rotational Bond 4.0
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 335-57-9
NORMAN SUSDAT
FDA SRS I23ZVD1P1L
PubChem 9553
ChemSpider 9179.0