Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester
RN: 680-08-0
InChIKey: HXVWSPYWLBVECZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-F6-O5

Molecular Weight

  • 326.188
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Hydroxy-2,2,2-trifluoro-1-(trifluoromethyl)malonic acid diethyl ester
  • BRN 1915911

Systematic Name

  • Malonic acid, (1-hydroxy-2,2,2-trifluoro-1-trifluoromethyl)ethyl-, diethyl ester

Registry Numbers

CAS Registry Number

  • 680-08-0

System Generated Number

  • 0000680080

Structure Descriptors

InChI

1S/C10H12F6O5/c1-3-20-6(17)5(7(18)21-4-2)8(19,9(11,12)13)10(14,15)16/h5,19H,3-4H2,1-2H3

InChIKey

HXVWSPYWLBVECZ-UHFFFAOYSA-N

Smiles

C(C(C(OCC)=O)C(OCC)=O)(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.
mouse LD50 oral 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 1215, 1970.