4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione

C8H5F3O3CAS 326-90-9206.12 g/mol

Open in Covalent MOL file
OOFFFO
Alkyl halideKetone

Properties

Molecular formula
C8H5F3O3
Molar mass
206.12 g/mol
Exact mass
206.0191 Da
logP
1.98Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
326-90-9
SMILES
O=C(CC(=O)C(F)(F)F)c1ccco1
InChIKey
OWLPCALGCHDBCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O3/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

17 names · show all
  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furanyl)-
  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-furyl)-
  • 4,4,4-Trifluoro-1-(2-furyl)-1,3-butanedione
  • 2-Furoyltrifluoroacetone
  • 1,1,1-Trifluoro-4-(2′-furyl)butane-2,4-dione
  • 1-(2-Furoyl)-3,3,3-trifluoroacetone
  • NSC 405707
  • NSC 405708
  • NSC 405709
  • NSC 405711
  • NSC 405712
  • NSC 55431
  • NSC 55432
  • NSC 9186
  • 2-(1,3-Dioxo-4,4,4-trifluorobutyl)furan
  • 1,1,1-Trifluoro-4-(2-furyl)butane-2,4-dione
  • 1-(Furan-2-yl)-4,4,4-trifluoro-1,3-butanedione

Work with 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4,4-Trifluoro-1-phenyl-1,3-butanedione326-06-757 % similar 1-(2-Furanyl)-1,3-butanedione25790-35-655 % similar Thenoyltrifluoroacetone326-91-051 % similar Ethyl 3-(2-furyl)-3-oxopropanoate615-09-849 % similar 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-449 % similar 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione18931-60-749 % similar 4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione720-94-549 % similar 2-Furoylacetonitrile31909-58-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethoxy)benzoic acid1014-81-9 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-5 2-(Trifluoromethoxy)benzoic acid150436-84-3 2-(Trifluoromethoxy)benzoic acid1979-29-9 4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-9 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-0 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook