4-Fluoro-1-nitro-2-(trifluoromethyl)benzene

C7H3F4NO2CAS 393-09-9209.10 g/mol

ON+O−FFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
Boiling point
88 °C (at 12 Torr)
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
393-09-9
SMILES
O=[N+]([O-])c1ccc(F)cc1C(F)(F)F
InChIKey
WMQOSURXFLBTPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H

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Names and synonyms

10 names
  • Benzene, 4-fluoro-1-nitro-2-(trifluoromethyl)-
  • Toluene, α,α,α,5-tetrafluoro-2-nitro-
  • 5-Fluoro-2-nitrobenzotrifluoride
  • 5-Fluoro-2-nitro(trifluoromethyl)benzene
  • NSC 10304
  • 4-Fluoro-6-(trifluoromethyl)nitrobenzene
  • 4-Fluoro-2-(trifluoromethyl)nitrobenzene
  • 1-Fluoro-3-trifluoromethyl-4-nitrobenzene
  • 4-Nitro-3-(trifluoromethyl)fluorobenzene
  • 5-Fluoro-2-nitro-1-trifluoromethylbenzene

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Similar compounds

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

Same formula

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