chempirical

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

C10H11FN2O2CAS 778-56-3210.21 g/mol

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

Properties

Molecular formula
C10H11FN2O2
Molar mass
210.21 g/mol
Exact mass
210.0805 Da
logP
2.33Crippen 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
778-56-3
SMILES
C1CCN(C1)C2=C(C=C(C=C2)F)[N+](=O)[O-]
InChIKey
PSUGFUCCTASXGW-UHFFFAOYSA-N
InChI
InChI=1S/C10H11FN2O2/c11-8-3-4-9(10(7-8)13(14)15)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2

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

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)piperidine719-70-097 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-466 % similar 4-Fluoro-1,2-dinitrobenzene364-53-457 % similar 2,5-Difluoronitrobenzene364-74-954 % similar 2,4-Difluoronitrobenzene446-35-553 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-551 % similar 4-Fluoro-1-iodo-2-nitrobenzene364-77-251 % similar 4-Fluoro-2-nitroaniline364-78-351 % similar

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

Elsewhere

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