Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0069042

Structure

InChI Key BMPMIPFMFUBMNZ-UHFFFAOYSA-N
Smiles FC(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChI
InChI=1S/C6F13NO/c7-1(8,9)2(10,11)20-3(12,13)5(16,17)21-6(18,19)4(20,14)15

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F13N1O1
Molecular Weight 348.98
AlogP 3.84
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 12.47
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 55716-11-5
NORMAN SUSDAT
PubChem 6453236
ChemSpider 4955624.0