Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MM78D29ULQ
EPA CompTox DTXSID80198752

Structure

InChI Key OCGWWLDZAFOHGD-UHFFFAOYSA-N
Smiles FC(F)(F)C(O)(C)C
InChI
InChI=1/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7F3O
Molecular Weight 128.04
AlogP 1.32
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 507-52-8
NORMAN SUSDAT
FDA SRS MM78D29ULQ
PubChem 68182