3-(1,1,2,2-Tetrafluoroethoxy)benzoic acid

C₉H₆F₄O₃CAS 70126-48-6238.14 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₆F₄O₃
Molar mass: 238.14 g/mol
Exact mass: 238.0253 Da
logP: 2.62Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

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

70126-48-6

SMILES

C1=CC(=CC(=C1)OC(C(F)F)(F)F)C(=O)O

InChIKey

KXSUHQSIHGQDQV-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F4O3/c10-8(11)9(12,13)16-6-3-1-2-5(4-6)7(14)15/h1-4,8H,(H,14,15)

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Work with 3-(1,1,2,2-Tetrafluoroethoxy)benzoic 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

3-(Trifluoromethoxy)benzoic acid1014-81-969 % similar 3-(Difluoromethoxy)benzoic acid4837-19-861 % similar 3-Methoxybenzoic acid586-38-957 % similar 3-Phenoxybenzoic acid3739-38-655 % similar 3-Isopropoxybenzoic acid60772-67-053 % similar 3-Ethoxybenzoic acid621-51-253 % similar 3-(Trifluoromethylthio)benzoic acid946-65-653 % similar 1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-652 % similar

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

Same formula

4-(1,1,2,2-Tetrafluoroethoxy)benzoic acid10009-25-3

Elsewhere

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