chempirical

4-Dimethylamino-3-nitrobenzotrifluoride

C9H9F3N2O2CAS 40700-38-7234.18 g/mol

Open in Covalent MOL file
NFFFN+OO−
Alkyl halideNitroTertiary amine

Properties

Molecular formula
C9H9F3N2O2
Molar mass
234.18 g/mol
Exact mass
234.0616 Da
logP
2.68Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
40700-38-7
SMILES
CN(C)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]
InChIKey
FDGCMYGPTQRTMZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9F3N2O2/c1-13(2)7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5H,1-2H3

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Names and synonyms

1 names
  • N,N-Dimethyl-2-nitro-4-(trifluoromethyl)aniline

Work with 4-Dimethylamino-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

1-Methyl-1-(2-nitro-4-(trifluoromethyl)phenyl)hydrazine120940-43-473 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-467 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]piperazine58315-38-162 % similar 2,5-Bis(trifluoromethyl)nitrobenzene320-88-762 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-260 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-559 % similar 4-Bromo-3-nitrobenzotrifluoride349-03-159 % similar 2-Nitro-4-(trifluoromethyl)aniline400-98-659 % similar

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

Elsewhere

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