chempirical

2-Fluoro-3-nitrobenzotrifluoride

C7H3F4NO2CAS 61324-97-8209.10 g/mol

Open in Covalent MOL file
N+OO−FFFF
Alkyl halideAryl halideNitro

Properties

Molecular formula
C7H3F4NO2
Molar mass
209.10 g/mol
Exact mass
209.0100 Da
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
61324-97-8
SMILES
C1=CC(=C(C(=C1)[N+](=O)[O-])F)C(F)(F)F
InChIKey
PGKWPKDZNHZBQK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H

Weigh it out

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Work with 2-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

2-Nitrobenzotrifluoride384-22-570 % similar 2-Chloro-1-nitro-3-(trifluoromethyl)benzene39974-35-167 % similar 2-Methyl-1-nitro-3-(trifluoromethyl)benzene6656-49-165 % similar 1,2-Difluoro-3-nitrobenzene6921-22-862 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-260 % similar 3-Bromo-2-fluoronitrobenzene58534-94-458 % similar 2-Fluoro-3-nitrophenol179816-26-357 % similar 2-Fluoro-1-methyl-3-nitrobenzene437-86-557 % 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 2-Fluoro-5-nitrobenzotrifluoride400-74-8 3-Fluoro-4-nitrobenzotrifluoride402-12-0 2-Fluoro-4-nitrobenzotrifluoride69411-67-2 3-Fluoro-2-trifluoromethyl-isonicotinic acid886510-09-4 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-4

Elsewhere

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