2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl 3-methylbutanoate

CAS Registry Number®

914637-45-9
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CAS Name

2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl 3-methylbutanoate

Molecular Formula

C9H9F9O2

Molecular Mass

320.15

Cite this Page

2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=914637-45-9 (retrieved 2024-09-11) (CAS RN: 914637-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9F9O2/c1-4(2)3-5(19)20-6(7(10,11)12,8(13,14)15)9(16,17)18/h4H,3H2,1-2H3

InChIKey

InChIKey=KHKVAWKFDWEPTR-UHFFFAOYSA-N

SMILES

C(OC(CC(C)C)=O)(C(F)(F)F)(C(F)(F)F)C(F)(F)F

Canonical SMILES

O=C(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, 2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl ester
  • 2,2,2-Trifluoro-1,1-bis(trifluoromethyl)ethyl 3-methylbutanoate