Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10335698

Structure

InChI Key OSDPSOBLGQUCQX-UHFFFAOYSA-N
Smiles COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI
InChI=1S/C6H3F9O2/c1-17-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3F9O2
Molecular Weight 278.0
AlogP 2.63
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 13038-26-1
NORMAN SUSDAT
PubChem 526458
ChemSpider 458958.0