chempirical

1-[(Ammoniooxy)methyl]-3-(trifluoromethyl)benzene chloride

C8H9ClF3NOCAS 15256-07-2227.61 g/mol

Open in Covalent MOL file
FFFONH2HCl
Alkyl halidePrimary amine

Properties

Molecular formula
C8H9ClF3NO
Molar mass
227.61 g/mol
Exact mass
227.0325 Da
logP
2.52Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
15256-07-2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)CON.Cl
InChIKey
DXEDFEUKJRKFOV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7-3-1-2-6(4-7)5-13-12;/h1-4H,5,12H2;1H

Weigh it out

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

Work with 1-[(Ammoniooxy)methyl]-3-(trifluoromethyl)benzene 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

3-(Trifluoromethyl)benzylamine2740-83-256 % similar O-Benzylhydroxylamine hydrochloride2687-43-653 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-053 % similar 3-(Trifluoromethyl)benzenemethanol349-75-751 % similar 3-(Trifluoromethyl)benzyl bromide402-23-351 % similar 3-(Trifluoromethyl)benzyl chloride705-29-351 % similar 1-(Phenylmethoxy)-3-(trifluoromethyl)benzene70097-64-249 % similar 3-Trifluoromethylphenylhydrazine hydrochloride3107-33-349 % similar

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

Elsewhere

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