Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K987U5C2CX
EPA CompTox DTXSID9059963

Structure

InChI Key FHUDAMLDXFJHJE-UHFFFAOYSA-N
Smiles O=C(C)C(F)(F)F
InChI
InChI=1/C3H3F3O/c1-2(7)3(4,5)6/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3F3O
Molecular Weight 112.01
AlogP 1.14
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 421-50-1
NORMAN SUSDAT
FDA SRS K987U5C2CX
PubChem 9871