chempirical

3,5-Diaminobenzotrifluoride

C7H7F3N2CAS 368-53-6176.14 g/mol

Open in Covalent MOL file
NH2NH2FFF
Alkyl halidePrimary amine

Properties

Molecular formula
C7H7F3N2
Molar mass
176.14 g/mol
Exact mass
176.0561 Da
Melting point
88 °C
logP
1.87Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
368-53-6
SMILES
Nc1cc(N)cc(C(F)(F)F)c1
InChIKey
KZSXRDLXTFEHJM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,11-12H2

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Benzenediamine, 5-(trifluoromethyl)-
  • Toluene-3,5-diamine, α,α,α-trifluoro-
  • 5-(Trifluoromethyl)-1,3-benzenediamine
  • 5-(Trifluoromethyl)-1,3-phenylenediamine
  • 5-Trifluoromethyl-1,3-benzenediamine
  • 5-(Trifluoromethyl)-1,3-diaminobenzene
  • 3,5-Diamino-1-trifluoromethylbenzene
  • 1-Trifluoromethyl-3,5-diaminobenzene

Work with 3,5-Diaminobenzotrifluoride

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

3,5-Bis(trifluoromethyl)benzenamine328-74-589 % similar 3-Fluoro-5-trifluoromethylaniline454-67-171 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar 3-Methoxy-5-(trifluoromethyl)aniline349-55-361 % similar 3-(Trifluoromethyl)aniline98-16-860 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-358 % similar 4-(Trifluoromethyl)aniline455-14-157 % similar

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

Same formula

5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-3 [2-(Trifluoromethyl)phenyl]hydrazine365-34-4 [3-(Trifluoromethyl)phenyl]hydrazine368-78-5 4-Trifluoromethylphenylhydrazine368-90-1 2-Methyl-6-(trifluoromethyl)-3-pyridinamine383907-17-3

Elsewhere

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