Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0066296

Structure

InChI Key JQXGQDNUXYODIT-UHFFFAOYSA-N
Smiles O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7F14O/c8-1(22)2(9,10)4(12,13)5(14,15)3(11,6(16,17)18)7(19,20)21

Physicochemical Descriptors

Property Name Value
Molecular Formula C7F14O1
Molecular Weight 365.97
AlogP 4.22
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 18017-31-7
NORMAN SUSDAT
PubChem 87403
ChemSpider 78841.0