chempirical

3,4-Difluorobenzylamine

C7H7F2NCAS 72235-53-1143.14 g/mol

Open in Covalent MOL file
H2NFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H7F2N
Molar mass
143.14 g/mol
Exact mass
143.0547 Da
logP
1.42Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
72235-53-1
SMILES
NCc1ccc(F)c(F)c1
InChIKey
PHLZUDXEBCQHKM-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenemethanamine, 3,4-difluoro-
  • 3,4-Difluorobenzenemethanamine
  • [(3,4-Difluorophenyl)methyl]amine
  • 1-(3,4-Difluorophenyl)methanamine
  • (3,4-Difluorophenyl)methanamine

Work with 3,4-Difluorobenzylamine

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-Fluoro-4-methylbenzenemethanamine261951-67-164 % similar 3,4,5-Trifluorobenzenemethanamine235088-69-458 % similar 3,4-Difluorobenzyl bromide85118-01-056 % similar 3,4-Difluorobenzenemethanol85118-05-456 % similar 3-Fluorobenzylamine100-82-350 % similar 4-Fluorobenzylamine140-75-050 % similar P-Xylylenediamine539-48-050 % similar 3,4-Difluorobenzeneacetonitrile658-99-150 % similar

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

Same formula

2,4-Difluoro-N-methylaniline138564-16-6 2,6-Difluorobenzylamine69385-30-4 2,4-Difluorobenzylamine72235-52-0 2,5-Difluorobenzenemethanamine85118-06-5 3,5-Difluorobenzylamine90390-27-5

Elsewhere

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