Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9022283

Structure

InChI Key NCMPMCXQKBZXGI-UHFFFAOYSA-N
Smiles FC(F)C(F)(F)C(O)(C)C
InChI
InChI=1/C5H8F4O/c1-4(2,10)5(8,9)3(6)7/h3,10H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8F4O
Molecular Weight 160.05
AlogP 1.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 29553-26-2
NORMAN SUSDAT
PubChem 34628