chempirical

1-(4-Fluoro-2-nitrophenyl)piperidine

C11H13FN2O2CAS 719-70-0224.24 g/mol

Open in Covalent MOL file
NFN+OO−
Aryl halideNitroTertiary amine

Properties

Molecular formula
C11H13FN2O2
Molar mass
224.24 g/mol
Exact mass
224.0961 Da
logP
2.72Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
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
719-70-0
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)F)[N+](=O)[O-]
InChIKey
YSBDMNNCMGUEAL-UHFFFAOYSA-N
InChI
InChI=1S/C11H13FN2O2/c12-9-4-5-10(11(8-9)14(15)16)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2

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Work with 1-(4-Fluoro-2-nitrophenyl)piperidine

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-(4-Fluoro-2-nitrophenyl)pyrrolidine778-56-397 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-464 % similar 4-Fluoro-1,2-dinitrobenzene364-53-456 % similar 2,5-Difluoronitrobenzene364-74-953 % similar 2,4-Difluoronitrobenzene446-35-551 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-550 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-250 % similar 4-Fluoro-2-nitroaniline364-78-350 % similar

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

Elsewhere

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