chempirical

4-(2-Fluoro-4-nitrophenyl)morpholine

C10H11FN2O3CAS 2689-39-6226.21 g/mol

Open in Covalent MOL file
ON+O−NOF
Aryl halideEtherNitroTertiary amine

Properties

Molecular formula
C10H11FN2O3
Molar mass
226.21 g/mol
Exact mass
226.0754 Da
Melting point
112–113 °C
logP
1.57Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
2689-39-6
SMILES
O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1
InChIKey
ZEQCFSSBZPZEFJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H11FN2O3/c11-9-7-8(13(14)15)1-2-10(9)12-3-5-16-6-4-12/h1-2,7H,3-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Morpholine, 4-(2-fluoro-4-nitrophenyl)-
  • N-(2-Fluoro-4-nitrophenyl)morpholine
  • 3-Fluoro-4-morpholine-4-yl-nitrobenzene
  • 3-Fluoro-4-morpholinonitrobenzene
  • 3-Fluoro-4-morpholin-4-yl-1-nitrobenzene

Work with 4-(2-Fluoro-4-nitrophenyl)morpholine

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-(4-Nitrophenyl)morpholine10389-51-259 % similar 3,4-Difluoronitrobenzene369-34-654 % similar 2-Morpholino-5-nitropyridine26820-62-253 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-649 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-249 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-249 % similar 2-Fluoro-4-nitrobenzenamine369-35-749 % similar 1-Fluoro-2,4-dinitrobenzene70-34-848 % similar

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

Elsewhere

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