chempirical

3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid

C14H6F4O4CAS 31381-91-6314.19 g/mol

Open in Covalent MOL file
FOOHFFOOHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C14H6F4O4
Molar mass
314.19 g/mol
Exact mass
314.0202 Da
logP
3.31Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

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
31381-91-6
SMILES
C1=C(C=C(C(=C1F)C(=O)O)F)C2=CC(=C(C(=C2)F)C(=O)O)F
InChIKey
ZPGFIXJMWHUTJM-UHFFFAOYSA-N
InChI
InChI=1S/C14H6F4O4/c15-7-1-5(2-8(16)11(7)13(19)20)6-3-9(17)12(14(21)22)10(18)4-6/h1-4H,(H,19,20)(H,21,22)

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Work with 3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic 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

2,4,6-Trifluorobenzoic acid28314-80-973 % similar 2,6-Difluoro-4-hydroxybenzoic acid214917-68-770 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-168 % similar 2,6-Difluorobenzoic acid385-00-263 % similar 3,6-Difluorophthalic acid651-97-862 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-261 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-661 % similar 3,5-Difluoropyridine-4-carboxylic acid903522-29-261 % similar

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

Elsewhere

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