Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2XGY3K3RD7
EPA CompTox DTXSID80242941

Structure

InChI Key SFVAUJPSCBBWBL-UHFFFAOYSA-N
Smiles O=C(C(F)=C(F)F)N(CC)CC
InChI
InChI=1/C7H10F3NO/c1-3-11(4-2)7(12)5(8)6(9)10/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H10F3NO
Molecular Weight 181.07
AlogP 1.93
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.31
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 97403-94-6
NORMAN SUSDAT
FDA SRS 2XGY3K3RD7
PubChem 3024869