chempirical

Tetrafluorophthalic acid

C8H2F4O4CAS 652-03-9238.09 g/mol

Open in Covalent MOL file
OHOFFFFOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H2F4O4
Molar mass
238.09 g/mol
Exact mass
237.9889 Da
Melting point
163 °C
logP
1.64Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
652-03-9
SMILES
O=C(O)c1c(F)c(F)c(F)c(F)c1C(=O)O
InChIKey
YJLVXRPNNDKMMO-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrafluoro-
  • Phthalic acid, tetrafluoro-
  • 3,4,5,6-Tetrafluoro-1,2-benzenedicarboxylic acid
  • 3,4,5,6-Tetrafluorophthalic acid
  • o-Tetrafluorobenzenedicarboxylic acid

Work with Tetrafluorophthalic 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 acid602-94-889 % similar 2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-068 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-464 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-658 % similar 2,3,4,5-Tetrafluoro-6-nitrobenzoic acid16583-08-757 % similar 2,3,6-Trifluorobenzoic acid2358-29-456 % similar Decafluorobenzophenone853-39-450 % similar 3-Amino-2,6-difluorobenzoic acid83141-11-148 % similar

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

Same formula

2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-8

Elsewhere

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