1-(2,4-Difluorophenyl)piperazine

C₁₀H₁₂F₂N₂CAS 115761-79-0198.22 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed85.7% of notifiers
H302 Harmful if swallowed14.3% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H314 Causes severe skin burns and eye damage71.4% of notifiers
H315 Causes skin irritation28.6% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

Weigh it out

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-Fluoro-4-nitrophenyl)piperazine154590-33-756 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-156 % similar 1-(4-Fluorophenyl)piperazine2252-63-355 % similar 1-(3-Fluorophenyl)piperazine3801-89-654 % similar 1-(4-Fluorophenyl)piperazine dihydrochloride64090-19-350 % similar 1-(2,4-Dimethylphenyl)piperazine1013-76-947 % similar 3-Fluoro-4-morpholinoaniline93246-53-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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