Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70869964

Structure

InChI Key QROUUECTKRZFHF-UHFFFAOYSA-N
Smiles OCCCC(F)(F)C(F)(F)F
InChI
InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7F5O1
Molecular Weight 178.04
AlogP 1.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 148043-73-6
NORMAN SUSDAT
PubChem 547967