2-Amino-4'-fluoroacetophenone hydrochloride

C₈H₉ClFNOCAS 456-00-8189.61 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₈H₉ClFNO
Molar mass: 189.61 g/mol
Exact mass: 189.0357 Da
logP: 1.39Crippen estimate
Polar surface area: 43.1 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

456-00-8

SMILES

C1=CC(=CC=C1C(=O)CN)F.Cl

InChIKey

KQROOJFZQSQJMM-UHFFFAOYSA-N

InChI

InChI=1S/C8H8FNO.ClH/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-4H,5,10H2;1H

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Names and synonyms

1 names

2-Amino-1-(4-fluorophenyl)ethan-1-one hydrochloride

Work with 2-Amino-4'-fluoroacetophenone hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Amino-4'-fluoroacetophenone369-43-7Free base

Similar compounds

2-Aminoacetophenone hydrochloride5468-37-167 % similar 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-158 % similar 2-Aminoacetophenone613-89-857 % similar 4-Fluorophenacyl bromide403-29-255 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-655 % similar 1-(4-Fluorophenyl)-1-propanone456-03-155 % similar 2-Chloro-4′-fluoroacetophenone456-04-255 % similar 1-(4-Fluorophenyl)-2-phenylethan-1-one347-84-254 % similar

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

Elsewhere

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