chempirical

Diphenylammonium trifluoromethanesulfonate

C13H12F3NO3SCAS 164411-06-7319.30 g/mol

Open in Covalent MOL file
NH2+FFFSOOO−
Alkyl halideSecondary amineSulfonic acid

Properties

Molecular formula
C13H12F3NO3S
Molar mass
319.30 g/mol
Exact mass
319.0490 Da
logP
2.26Crippen estimate
Polar surface area
73.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
164411-06-7
SMILES
C1=CC=C(C=C1)[NH2+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
InChIKey
MGEGQAUINMTPGX-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)

Weigh it out

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

Work with Diphenylammonium trifluoromethanesulfonate

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

Diphenyliodonium triflate66003-76-766 % similar Triphenylsulfonium triflate66003-78-966 % similar Diphenyl-(trifluoromethyl)-sulfonium trifluoromethanesulfonate147531-11-160 % similar N-Fluoropyridinium triflate107263-95-653 % similar Erbium triflate139177-64-352 % similar Scandium(III) trifluoromethanesulfonate144026-79-952 % similar Barium bis(trifluoromethanesulfonate)2794-60-752 % similar Silver trifluoromethanesulfonate2923-28-652 % similar

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

Elsewhere

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