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

Hazards

Warning
Irritant (GHS07)

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

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-Bromo-5-fluoroaniline134168-97-164 % similar 3-Chloro-5-fluorobenzenamine4863-91-664 % similar 3-Fluoro-5-methylaniline52215-41-564 % similar 3-Fluoro-5-iodoaniline660-49-164 % similar 1,3,5-Trifluorobenzene372-38-360 % similar 3-Fluoro-5-trifluoromethylaniline454-67-158 % similar 3-Fluoroaniline372-19-057 % similar 3-Amino-5-fluorobenzonitrile210992-28-256 % 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