2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride

C₈H₂ClF₅O₂CAS 55502-53-9260.54 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₂ClF₅O₂
Molar mass: 260.54 g/mol
Exact mass: 259.9663 Da
logP: 2.53Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

55502-53-9

SMILES

O=C(Cl)COc1c(F)c(F)c(F)c(F)c1F

InChIKey

WQLJMPAQIWVNGS-UHFFFAOYSA-N

InChI

InChI=1S/C8H2ClF5O2/c9-2(15)1-16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2

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Names and synonyms

5 names

Acetyl chloride, 2-(2,3,4,5,6-pentafluorophenoxy)-
Acetyl chloride, (pentafluorophenoxy)-
(Pentafluorophenoxy)acetyl chloride
NSC 97008
2-(Perfluorophenoxy)acetyl chloride

Work with 2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride

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-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-955 % similar 2-Phenoxyacetyl chloride701-99-545 % similar Methoxyacetyl chloride38870-89-240 % similar 2-Ethoxyacetyl chloride14077-58-838 % similar 2-(Acetyloxy)acetyl chloride13831-31-736 % similar Pentafluorophenyl acetate19220-93-036 % similar Glutaryl chloride2873-74-736 % similar Pentafluorobenzoyl chloride2251-50-535 % similar

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

Elsewhere

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