2-Fluoro-5-(trifluoromethoxy)benzoic acid

C₈H₄F₄O₃CAS 886497-85-4224.11 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₄F₄O₃
Molar mass: 224.11 g/mol
Exact mass: 224.0097 Da
logP: 2.42Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 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

886497-85-4

SMILES

C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)F

InChIKey

CSMVUVGPLMTFIZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O3/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H,13,14)

Weigh it out

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

Work with 2-Fluoro-5-(trifluoromethoxy)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

5-Trifluoromethoxysalicylic acid129644-57-169 % similar 2-Amino-5-(trifluoromethoxy)benzoic acid83265-56-968 % similar 2-Methoxy-5-(trifluoromethoxy)benzoic acid191604-88-364 % similar 2-Fluoro-5-methoxybenzoic acid367-83-964 % similar 4-(Trifluoromethoxy)benzoic acid330-12-158 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-757 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-956 % similar 2,5-Difluorobenzoic acid2991-28-855 % similar

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

Same formula

6-Hydroxy-2,2,3,3-tetrafluoro-1,4-benzodioxane103467-50-1

Elsewhere

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