chempirical

3,4-Difluoroaniline

C6H5F2NCAS 3863-11-4129.11 g/mol

Open in Covalent MOL file
H2NFF
Aryl halidePrimary amine

Properties

Molecular formula
C6H5F2N
Molar mass
129.11 g/mol
Exact mass
129.0390 Da
Melting point
227–228 °C
Boiling point
77 °C (at 7 Torr)
logP
1.55Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3863-11-4
SMILES
Nc1ccc(F)c(F)c1
InChIKey
AXNUZKSSQHTNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

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Names and synonyms

6 names
  • Benzenamine, 3,4-difluoro-
  • Aniline, 3,4-difluoro-
  • 3,4-Difluorobenzenamine
  • NSC 10296
  • 4,5-Difluoroaniline
  • 3,4-Difluorophenylamine

Work with 3,4-Difluoroaniline

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

4-Fluoro-1,3-phenylenediamine6264-67-165 % similar 3-Chloro-4-fluoroaniline367-21-560 % similar 4-Chloro-3-fluorobenzenamine367-22-660 % similar 4-Fluoro-3-methylaniline452-69-760 % similar 3-Fluoro-4-methylaniline452-77-760 % similar 3-Bromo-4-fluorobenzenamine656-64-460 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-356 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-356 % similar

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

Same formula

2,4-Difluoroaniline367-25-9 2,5-Difluoroaniline367-30-6 3,5-Difluoroaniline372-39-4 2,3-Difluoroaniline4519-40-8 2,6-Difluoroaniline5509-65-9

Elsewhere

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