Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 36MU16BYFK
EPA CompTox DTXSID1059868

Structure

InChI Key NRKYWOKHZRQRJR-UHFFFAOYSA-N
Smiles NC(=O)C(F)(F)F
InChI
InChI=1S/C2H2F3NO/c3-2(4,5)1(6)7/h(H2,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2F3N1O1
Molecular Weight 113.01
AlogP 1.08
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Polar Surface Area 44.08
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 354-38-1
NORMAN SUSDAT
FDA SRS 36MU16BYFK
PubChem 67717
ChemSpider 61036.0