Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JC72CKF3K2
EPA CompTox DTXSID7059989

Structure

InChI Key WQAWXRFLNDAOON-UHFFFAOYSA-N
Smiles O=C(C(F)F)C(F)(F)F
InChI
InChI=1/C3HF5O/c4-2(5)1(9)3(6,7)8/h2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3HF5O
Molecular Weight 147.99
AlogP 1.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 431-71-0
NORMAN SUSDAT
FDA SRS JC72CKF3K2
PubChem 67939