Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QP8Q61T44L

Structure

InChI Key YOQYDUAUSFAUER-UHFFFAOYSA-N
Smiles COC(F)(F)C(F)Br
InChI
InChI=1S/C3H4BrF3O/c1-8-3(6,7)2(4)5/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Br1F3O1
Molecular Weight 191.94
AlogP 1.92
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 679-90-3
NORMAN SUSDAT
FDA SRS QP8Q61T44L