Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20881338

Structure

InChI Key QKAGYSDHEJITFV-UHFFFAOYSA-N
Smiles COC(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F13O1
Molecular Weight 350.0
AlogP 4.33
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 132182-92-4
NORMAN SUSDAT
PubChem 14689855
ChemSpider 10776483.0