Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10548701

Structure

InChI Key RWRPNOCBTYVGOR-UHFFFAOYSA-N
Smiles FC(C(C(C(C(C(C(=O)OOC(=O)C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C14H2F24O4/c15-1(16)5(19,20)9(27,28)13(35,36)11(31,32)7(23,24)3(39)41-42-4(40)8(25,26)12(33,34)14(37,38)10(29,30)6(21,22)2(17)18/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H2F24O4
Molecular Weight 689.96
AlogP 6.87
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 52.6
Heavy Atoms 42.0

Cross References

Resources Reference
CAS NUMBER 32687-76-6
NORMAN SUSDAT
PubChem 13761597