chempirical

2-Fluoro-5-nitrobenzotrifluoride

C7H3F4NO2CAS 400-74-8209.10 g/mol

Open in Covalent MOL file
ON+O−FFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
Boiling point
105–110 °C (at 25 Torr)
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
400-74-8
SMILES
O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1
InChIKey
DNTHMWUMRGOJRY-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-fluoro-4-nitro-2-(trifluoromethyl)-
  • Toluene, α,α,α,2-tetrafluoro-5-nitro-
  • 1-Fluoro-4-nitro-2-(trifluoromethyl)benzene
  • 3-(Trifluoromethyl)-4-fluoronitrobenzene
  • 2-Fluoro-5-nitro-1-(trifluoromethyl)benzene
  • 5-Nitro-2-fluorobenzotrifluoride
  • 1-Fluoro-4-nitro-2-trifluoromethylbenzene
  • 4-Fluoro-3-trifluoromethylnitrobenzene
  • NSC 10302
  • 4-Fluoro-3-trifluoromethyl-1-nitrobenzene
  • 4-Nitro-2-(trifluoromethyl)fluorobenzene
  • 1-Fluoro-2-(trifluoromethyl)-4-nitrobenzene

Work with 2-Fluoro-5-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

4-Nitro-2-(trifluoromethyl)aniline121-01-765 % similar 2-Bromo-5-nitrobenzotrifluoride367-67-965 % similar 2-Chloro-5-nitrobenzotrifluoride777-37-765 % similar 3,4-Difluoronitrobenzene369-34-664 % similar 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene654-76-260 % similar 1-Fluoro-2,4-dinitrobenzene70-34-860 % similar 4-Nitro-2-(trifluoromethyl)benzoic acid320-37-657 % similar 3-Chloro-4-fluoronitrobenzene350-30-157 % 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-3-nitrobenzotrifluoride367-86-2 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene393-09-9 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook