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

Structure

InChI Key KXKAXOZWSFAJTG-UHFFFAOYSA-N
Smiles CC[P](F)(=O)OC(C)C
InChI
InChI=1S/C5H12FO2P/c1-4-9(6,7)8-5(2)3/h5H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12F1O2P1
Molecular Weight 154.06
AlogP 2.59
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 1189-87-3
NORMAN SUSDAT