Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60880229

Structure

InChI Key MBDQOIDXSFHMFM-UHFFFAOYSA-N
Smiles COC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F
InChI
InChI=1S/C7H3F9O3/c1-18-4(17)5(11,12)6(13,14)7(15,16)19-3(10)2(8)9/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3F9O3
Molecular Weight 305.99
AlogP 3.07
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 35.53
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 19190-61-5
NORMAN SUSDAT
PubChem 11403991
ChemSpider 9578887.0