chempirical

2,4-Dinitro-5-fluoroaniline

C6H4FN3O4CAS 367-81-7201.11 g/mol

Open in Covalent MOL file
H2NFN+OO−N+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4FN3O4
Molar mass
201.11 g/mol
Exact mass
201.0186 Da
Melting point
186–187 °C
logP
1.22Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
367-81-7
SMILES
Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
RAGRTYREMCPEIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FN3O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H,8H2

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Names and synonyms

7 names
  • Benzenamine, 5-fluoro-2,4-dinitro-
  • Aniline, 5-fluoro-2,4-dinitro-
  • 5-Fluoro-2,4-dinitrobenzenamine
  • 3-Fluoro-4,6-dinitroaniline
  • 5-Fluoro-2,4-dinitroaniline
  • 5-Amino-2,4-dinitro-1-fluorobenzene
  • NSC 88336

Work with 2,4-Dinitro-5-fluoroaniline

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

4,5-Difluoro-2-nitroaniline78056-39-083 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-471 % similar 2-Bromo-5-fluoro-4-nitrobenzenamine952664-69-671 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-666 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-563 % similar 4-Fluoro-2-methoxy-5-nitroaniline1075705-01-962 % similar 4-Fluoro-2-nitroaniline364-78-359 % similar 5-Fluoro-2-nitrobenzenamine2369-11-157 % similar

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

Elsewhere

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