chempirical

1-(2,4-Difluorophenyl)piperazine

C10H12F2N2CAS 115761-79-0198.22 g/mol

Open in Covalent MOL file
NHNFF
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C10H12F2N2
Molar mass
198.22 g/mol
Exact mass
198.0969 Da
logP
1.37Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
115761-79-0
SMILES
C1CN(CCN1)C2=C(C=C(C=C2)F)F
InChIKey
CMCSPBOWEYUGHB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12F2N2/c11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

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

Work with 1-(2,4-Difluorophenyl)piperazine

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

1-(2-Fluorophenyl)piperazine1011-15-061 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-156 % similar 1-(4-Fluorophenyl)piperazine2252-63-355 % similar 1-(3-Fluorophenyl)piperazine3801-89-654 % similar 1-(2,4-Dimethylphenyl)piperazine1013-76-947 % similar 1-(2,5-Dimethylphenyl)piperazine1013-25-844 % similar 1-(3-Fluorobenzyl)piperazine55513-19-444 % similar 1-(2-Chlorophenyl)piperazine39512-50-043 % similar

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

Elsewhere

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