Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00578936

Structure

InChI Key HWGNOHFZECDUBX-UHFFFAOYSA-N
Smiles CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C7H3F11O/c1-2(19)3(8,9)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F11O1
Molecular Weight 312.0
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 2708-07-8
NORMAN SUSDAT
PubChem 15859812
ChemSpider 15508218.0