Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R9PRR4MPL7
EPA CompTox DTXSID40242942

Structure

InChI Key GPIMQYBOJVUWSK-UHFFFAOYSA-N
Smiles O=C(C(F)=C(F)F)N(C)C
InChI
InChI=1/C5H6F3NO/c1-9(2)5(10)3(6)4(7)8/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H6F3NO
Molecular Weight 153.04
AlogP 1.15
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.31
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 97403-95-7
NORMAN SUSDAT
FDA SRS R9PRR4MPL7
PubChem 3024870