chempirical

3-Fluoro-4-nitrobenzotrifluoride

C7H3F4NO2CAS 402-12-0209.10 g/mol

Open in Covalent MOL file
FFFFN+OO−
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
402-12-0
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)[N+](=O)[O-]
InChIKey
OBWDPLOCTVOTMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H

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Work with 3-Fluoro-4-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 3-Chloro-4-nitrobenzotrifluoride402-11-965 % similar 3-Amino-4-nitrobenzotrifluoride402-14-265 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-764 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-561 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-161 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-661 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-761 % 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 2-Fluoro-3-nitrobenzotrifluoride61324-97-8 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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