chempirical

3,4-Diaminobenzotrifluoride

C7H7F3N2CAS 368-71-8176.14 g/mol

Open in Covalent MOL file
FFFNH2NH2
Alkyl halidePrimary amine

Properties

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

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
368-71-8
SMILES
C1=CC(=C(C=C1C(F)(F)F)N)N
InChIKey
RQWJHUJJBYMJMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2

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Names and synonyms

1 names
  • 4-Trifluoromethyl-1,2-phenylenediamine

Work with 3,4-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

2,5-Bis(trifluoromethyl)aniline328-93-869 % similar 2,4-Bis(trifluoromethyl)aniline367-71-569 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-467 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-967 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-664 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-664 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-564 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-164 % similar

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

Same formula

5-(Trifluoromethyl)-2-pyridinemethanamine164341-39-3 2-(Trifluoromethyl)benzene-1,4-diamine364-13-6 [2-(Trifluoromethyl)phenyl]hydrazine365-34-4 3,5-Diaminobenzotrifluoride368-53-6 [3-(Trifluoromethyl)phenyl]hydrazine368-78-5 4-Trifluoromethylphenylhydrazine368-90-1 2-Methyl-6-(trifluoromethyl)-3-pyridinamine383907-17-3 5-(Aminomethyl)-2-(trifluoromethyl)pyridine387350-39-2

Elsewhere

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