chempirical

Tetrafluoroisophthalic acid

C8H2F4O4CAS 1551-39-9238.09 g/mol

Open in Covalent MOL file
FFFOHOFOHO
Aryl halideCarboxylic acid

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1551-39-9
SMILES
C1(=C(C(=C(C(=C1F)F)F)C(=O)O)F)C(=O)O
InChIKey
PGRIMKUYGUHAKH-UHFFFAOYSA-N
InChI
InChI=1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)5(11)2(3)8(15)16/h(H,13,14)(H,15,16)

Weigh it out

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Work with Tetrafluoroisophthalic 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 acid602-94-895 % similar Tetrafluoro-4-hydroxybenzoic acid652-34-671 % similar 3-Chloro-2,4,5,6-tetrafluorobenzoic acid5360-81-669 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-468 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-468 % similar 2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-065 % similar 2,3,4,5-Tetrafluoro-6-chlorobenzoic acid1868-80-065 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-662 % similar

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

Same formula

Tetrafluorophthalic acid652-03-9 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-8

Elsewhere

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