Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20672905

Structure

InChI Key LCNPYINHENVWOH-UHFFFAOYSA-N
Smiles OCC(O)COCC(F)(F)C(F)F
InChI
InChI=1S/C6H10F4O3/c7-5(8)6(9,10)3-13-2-4(12)1-11/h4-5,11-12H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10F4O3
Molecular Weight 206.06
AlogP 0.26
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 49.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 25385-68-6
NORMAN SUSDAT
PubChem 45933744
ChemSpider 26051002.0