chempirical

1-Nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene

C8H5F4NO3CAS 28202-31-5239.13 g/mol

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ON+O−OFFFF
Alkyl halideEtherNitro

Properties

Molecular formula
C8H5F4NO3
Molar mass
239.13 g/mol
Exact mass
239.0206 Da
logP
2.83Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
28202-31-5
SMILES
O=[N+]([O-])c1ccccc1OC(F)(F)C(F)F
InChIKey
NZPNQVWBJNSDMV-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO3/c9-7(10)8(11,12)16-6-4-2-1-3-5(6)13(14)15/h1-4,7H

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Names and synonyms

3 names
  • Benzene, 1-nitro-2-(1,1,2,2-tetrafluoroethoxy)-
  • Phenetole, α,α,β,β-tetrafluoro-o-nitro-
  • 2-(1,1,2,2-Tetrafluoroethoxy)nitrobenzene

Work with 1-Nitro-2-(1,1,2,2-tetrafluoroethoxy)benzene

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-Ethoxy-2-nitrobenzene610-67-355 % similar 1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-951 % similar O-Nitroanisole91-23-651 % similar 2-Nitrodiphenyl ether2216-12-850 % similar 1-Methyl-2-(1,1,2,2-tetrafluoroethoxy)benzene42145-66-450 % similar 2-Nitrobenzotrifluoride384-22-548 % similar 1,2-Dinitrobenzene528-29-047 % similar 2-Nitrophenoxyacetic acid1878-87-146 % similar

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

Elsewhere

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