chempirical

N-Hydroxynaphthalimide triflate

C13H6F3NO5SCAS 85342-62-7345.25 g/mol

Open in Covalent MOL file
OONOSOOFFF
Alkyl halideAmideLactam

Properties

Molecular formula
C13H6F3NO5S
Molar mass
345.25 g/mol
Exact mass
344.9919 Da
Melting point
217 °C
logP
2.22Crippen estimate
Polar surface area
80.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
2

Identifiers

CAS number
85342-62-7
SMILES
O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)C(F)(F)F
InChIKey
LWHOMMCIJIJIGV-UHFFFAOYSA-N
InChI
InChI=1S/C13H6F3NO5S/c14-13(15,16)23(20,21)22-17-11(18)8-5-1-3-7-4-2-6-9(10(7)8)12(17)19/h1-6H

Weigh it out

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

Names and synonyms

10 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, 1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl ester
  • 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[[(trifluoromethyl)sulfonyl]oxy]-
  • NAI 105
  • N-(Trifluoromethylsulfonyloxy)-1,8-naphthalimide
  • N-Hydroxynaphthalimide trifluoromethanesulfonate
  • Adeka optomer SP 082
  • SP 082
  • (1,3-Dioxobenzo[de]isoquinolin-2-yl) trifluoromethanesulfonate
  • NIT PAG
  • N-[(Trifluoromethylsulfonyl)oxy]-1H-benz[de]isoquinoline-1,3(2H)-dione

Work with N-Hydroxynaphthalimide triflate

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

N-Hydroxynaphthalimide7797-81-145 % similar Naftalofos1491-41-442 % similar Alrestatin51411-04-240 % similar 1,8-Naphthalic anhydride81-84-538 % similar (R)-2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl126613-06-736 % similar (S)-Binol bis(triflate)128544-05-836 % similar 2,2′-Bis(trifluoromethanesulfonyloxy)-1,1′-binaphthyl128575-34-836 % similar 4-Acetylphenyl trifluoromethanesulfonate109613-00-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook