3-(Difluoromethoxy)-2,4,5-trifluorobenzoic acid

C₈H₃F₅O₃CAS 128426-86-8242.10 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₃F₅O₃
Molar mass: 242.10 g/mol
Exact mass: 242.0002 Da
logP: 2.40Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Identifiers

CAS number

128426-86-8

SMILES

C1=C(C(=C(C(=C1F)F)OC(F)F)F)C(=O)O

InChIKey

XKNIFQLRUBLKKI-UHFFFAOYSA-N

InChI

InChI=1S/C8H3F5O3/c9-3-1-2(7(14)15)4(10)6(5(3)11)16-8(12)13/h1,8H,(H,14,15)

Weigh it out

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

Work with 3-(Difluoromethoxy)-2,4,5-trifluorobenzoic 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-Methoxy-2,4,5-trifluorobenzoic acid11281-65-567 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-167 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-661 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-756 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-355 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-655 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-255 % similar 3-Amino-2,4,5-trifluorobenzoic acid119385-80-755 % similar

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

Same formula

2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-9

Elsewhere

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