chempirical

2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid

C8H2F4O4CAS 652-36-8238.09 g/mol

Open in Covalent MOL file
OHOFFOOHFF
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H2F4O4
Molar mass
238.09 g/mol
Exact mass
237.9889 Da
Melting point
276 °C (decomposes)
logP
1.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
652-36-8
SMILES
O=C(O)c1c(F)c(F)c(C(=O)O)c(F)c1F
InChIKey
WFNRNCNCXRGUKN-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

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Names and synonyms

9 names
  • 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrafluoro-
  • Terephthalic acid, tetrafluoro-
  • Tetrafluoroterephthalic acid
  • 2,3,5,6-Tetrafluoroterephthalic acid
  • NSC 96897
  • 2,3,5,6-Tetrafluorobenzene-1,4-dioic acid
  • 2,3,5,6-Tetrafluorobenzene-1,4-dicarboxylic acid
  • Tetrafluoro-1,4-benzenedicarboxylic acid
  • p-Tetrafluorobenzenedicarboxylic acid

Work with 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid

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

Pentafluorobenzoic acid602-94-894 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-474 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-667 % similar 2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-064 % similar 2,3,6-Trifluorobenzoic acid2358-29-458 % similar 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid16583-08-753 % similar 2,6-Difluorobenzoic acid385-00-250 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-150 % similar

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

Same formula

Tetrafluorophthalic acid652-03-9

Elsewhere

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