chempirical

4-Fluoro-3-nitrobenzotrifluoride

C7H3F4NO2CAS 367-86-2209.10 g/mol

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Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
Boiling point
92 °C (at 15 Torr)
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
367-86-2
SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1F
InChIKey
HLDFCCHSOZWKAA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-fluoro-2-nitro-4-(trifluoromethyl)-
  • Toluene, α,α,α,4-tetrafluoro-3-nitro-
  • 1-Fluoro-2-nitro-4-(trifluoromethyl)benzene
  • α,α,α,4-Tetrafluoro-3-nitrotoluene
  • 3-Nitro-4-fluorobenzotrifluoride
  • 4-Fluoro-3-nitrobenzofluoride
  • 4-Trifluoromethyl-2-nitro-1-fluorobenzene
  • 2-Fluoro-5-(trifluoromethyl)nitrobenzene
  • NSC 10303
  • 2-Nitro-4-(trifluoromethyl)fluorobenzene
  • 2-Fluoro-5-trifluoromethyl-1-nitrobenzene

Work with 4-Fluoro-3-nitrobenzotrifluoride

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

3,4-Difluoro-5-nitrobenzotrifluoride101646-01-965 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-565 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-665 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-765 % similar 2,5-Difluoronitrobenzene364-74-962 % similar 2-Nitro-4-(trifluoromethyl)benzaldehyde109466-87-762 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-961 % similar 4-Methoxy-3-nitrobenzotrifluoride394-25-260 % similar

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

Same formula

2-Amino-3,4,5,6-tetrafluorobenzoic acid1765-42-0 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 2-Fluoro-5-nitrobenzotrifluoride400-74-8 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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