chempirical

3,5-Difluoroaniline

C6H5F2NCAS 372-39-4129.11 g/mol

Open in Covalent MOL file
NH2FF
Aryl halidePrimary amine

Properties

Molecular formula
C6H5F2N
Molar mass
129.11 g/mol
Exact mass
129.0390 Da
Melting point
39–40 °C
logP
1.55Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
372-39-4
SMILES
Nc1cc(F)cc(F)c1
InChIKey
KQOIBXZRCYFZSO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

Weigh it out

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

Names and synonyms

7 names
  • Benzenamine, 3,5-difluoro-
  • Aniline, 3,5-difluoro-
  • 3,5-Difluorobenzenamine
  • 3,5-Difluoronitroaniline
  • 3,5-Difluorophenylamine
  • NSC 81289
  • 3,5-Fluoroaniline

Work with 3,5-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

3-Chloro-5-fluorobenzenamine4863-91-664 % similar 1,3,5-Trifluorobenzene372-38-360 % similar 3-Fluoro-5-trifluoromethylaniline454-67-158 % similar 3-Fluoroaniline372-19-057 % similar 3-Fluoro-5-nitrobenzenamine2369-12-250 % similar 4-Fluoroaniline371-40-450 % similar 3,4,5-Trifluorobenzenamine163733-96-845 % similar 2,4,6-Trifluorobenzenamine363-81-545 % 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 3,4-Difluoroaniline3863-11-4 2,3-Difluoroaniline4519-40-8 2,6-Difluoroaniline5509-65-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook