chempirical

Pyridinium trifluoroacetate

C7H6F3NO2CAS 464-05-1193.13 g/mol

Open in Covalent MOL file
OHOFFFN
Alkyl halideCarboxylic acid

Properties

Molecular formula
C7H6F3NO2
Molar mass
193.13 g/mol
Exact mass
193.0351 Da
Melting point
82–83 °C
logP
1.71Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
464-05-1
SMILES
O=C(O)C(F)(F)F.c1ccncc1
InChIKey
NRTYMEPCRDJMPZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N.C2HF3O2/c1-2-4-6-5-3-1;3-2(4,5)1(6)7/h1-5H;(H,6,7)

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

Names and synonyms

5 names
  • Acetic acid, 2,2,2-trifluoro-, compd. with pyridine (1:1)
  • Pyridine, trifluoroacetate
  • Acetic acid, trifluoro-, compd. with pyridine (1:1)
  • Trifluoroacetic acid-pyridine complex
  • NSC 211755

Work with Pyridinium trifluoroacetate

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

Trifluoroacetic acid76-05-165 % similar Ammonium trifluoroacetate3336-58-158 % similar N-Methylanilinium trifluoroacetate29885-95-849 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-841 % similar Pyridine110-86-139 % similar Triphenylacetic acid595-91-539 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-337 % similar 2-Bromo-2,2-difluoroacetic acid354-08-537 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook