chempirical

N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine

C11H11F3N2O2CAS 40832-82-4260.22 g/mol

Open in Covalent MOL file
NFFFN+OO−
Alkyl halideNitroTertiary amine

Properties

Molecular formula
C11H11F3N2O2
Molar mass
260.22 g/mol
Exact mass
260.0773 Da
logP
3.21Crippen 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
40832-82-4
SMILES
C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
InChIKey
UHQZHRWBRICNEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H11F3N2O2/c12-11(13,14)8-3-4-9(10(7-8)16(17)18)15-5-1-2-6-15/h3-4,7H,1-2,5-6H2

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Names and synonyms

1 names
  • 1-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine

Work with N-[2-Nitro-4-(trifluoromethyl)phenyl]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

N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine58315-38-179 % similar 2-[4-[2-Nitro-4-(trifluoromethyl)phenyl]piperazino]-1-ethanol330633-81-372 % similar 4-Dimethylamino-3-nitrobenzotrifluoride40700-38-767 % similar 1-(4-Fluoro-2-nitrophenyl)pyrrolidine778-56-366 % similar 1-(4-Fluoro-2-nitrophenyl)piperidine719-70-064 % similar 1-Methyl-1-(2-nitro-4-(trifluoromethyl)phenyl)hydrazine120940-43-462 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-759 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-257 % similar

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

Elsewhere

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