Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0065931

Structure

InChI Key MTWYDIQAJFAPGH-UHFFFAOYSA-N
Smiles O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9F18O/c10-1(28)2(11,12)4(14,15)6(18,19)7(20,21)5(16,17)3(13,8(22,23)24)9(25,26)27

Physicochemical Descriptors

Property Name Value
Molecular Formula C9F18O1
Molecular Weight 465.97
AlogP 5.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 17.07
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 15742-62-8
NORMAN SUSDAT
PubChem 85078
ChemSpider 76742.0