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

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 α-Amino-p-chloroacetophenone hydrochloride5467-71-064 % similar α-Amino-p-bromoacetophenone hydrochloride5467-72-164 % similar 2-Amino-4'-methoxyacetophenone hydrochloride3883-94-158 % similar 2-Aminoacetophenone613-89-857 % similar α-Amino-p-nitroacetophenone hydrochloride5425-81-055 % similar 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-255 % similar 1-(4-Fluorophenyl)-2-hydroxyethanone403-31-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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