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

C14H9F3O2CAS 893-33-4266.22 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideKetone

Properties

Molecular formula
C14H9F3O2
Molar mass
266.22 g/mol
Exact mass
266.0555 Da
Melting point
75 °C
logP
3.54Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
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
893-33-4
SMILES
O=C(CC(=O)C(F)(F)F)c1ccc2ccccc2c1
InChIKey
WVVLURYIQCXPIV-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O2/c15-14(16,17)13(19)8-12(18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthalenyl)-
  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-naphthyl)-
  • 4,4,4-Trifluoro-1-(2-naphthalenyl)-1,3-butanedione
  • 2-Naphthoyltrifluoroacetone
  • β-Naphthoyltrifluoroacetone
  • 4,4,4-Trifluoro-1-(2′-naphthyl)-1,3-butanedione
  • 1-(2-Naphthoyl)-3,3,3-trifluoroacetone
  • NSC 42790
  • 4-(2-Naphthyl)-1,1,1-trifluoro-2,4-butanedione
  • 1-(2-Naphthyl)-4,4,4-trifluoro-1,3-butanedione
  • 4,4′,4′′-Trifluoro-1-(naphth-2-yl)-1,3-butanedione
  • 4-(2-Naphthalenyl)-1,1,1-Trifluorobutane-2,4-dione
  • 4,4,4-Trifluoro-1-(2-naphthyl)-1,4-butanedione
  • 4,4,4-Trifluoro-1-(naphthalen-2-yl)-1,4-butanedione
  • 1-(2-Naphthalenyl)-4,4,4-trifluoro-1,3-butanedione

Work with 4,4,4-Trifluoro-1-(2-naphthyl)-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-butanedione326-06-767 % similar 1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione18931-60-757 % similar 4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione720-94-557 % similar 2-(Bromoacetyl)naphthalene613-54-754 % similar 4,4,4-Trifluoro-1-(2-furanyl)-1,3-butanedione326-90-949 % similar Thenoyltrifluoroacetone326-91-049 % similar 2-Naphthoyl chloride2243-83-643 % similar 1,1,1-Trifluoro-3-phenyl-2-propanone350-92-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-2 3'-Trifluoromethylbiphenyl-3-carboxylic acid168619-05-4 3'-Trifluoromethylbiphenyl-4-carboxylic acid195457-70-6 4'-Trifluoromethylbiphenyl-4-carboxylic acid195457-71-7 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-7 4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-4 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-9 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook