Chemical Component Summary

Name1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL
SynonymsHEXAFLUOROACETONE HYDRATE
Identifiers1,1,1,3,3,3-hexafluoropropane-2,2-diol
FormulaC3 H2 F6 O2
Molecular Weight184.037
TypeNON-POLYMER
Isomeric SMILESC(C(F)(F)F)(C(F)(F)F)(O)O
InChIInChI=1S/C3H2F6O2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H
InChIKeyAKVXSYUWYXOLMY-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count13
Chiral Atom Count0
Bond Count12
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02922 
NameHexafluoroacetone Hydrate
Groups experimental
SynonymsHexafluoroacetone Hydrate
Categories
  • Hydrocarbons, Fluorinated
  • Hydrocarbons, Halogenated
  • Ketones

Related Resource References

Resource NameReference
PubChem 69617
ChEMBL CHEMBL84242
CCDC/CSD QUSTIH, XEJWOZ, NOFGAT, NAMTAW