Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10381236

Structure

InChI Key XLRTYAMUIGRELS-UHFFFAOYSA-N
Smiles FC(C(F)(F)C(F)(F)C(F)(F)C(O)O)(F)C(F)(F)C(F)(C(F)(F)C(F)(C(F)(F)C(F)(F)F)F)F
InChI
InChI=1S/C11H3F21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h1,33-34H

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H3F21O2
Molecular Weight 565.98
AlogP 5.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 40.46
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 1049731-87-4
NORMAN SUSDAT
PubChem 17763152
ChemSpider 3249.0