chempirical

2-Chloro-3,6-difluorobenzenemethanamine

C7H6ClF2NCAS 261762-45-2177.58 g/mol

Open in Covalent MOL file
H2NFFCl
Aryl halidePrimary amine

Properties

Molecular formula
C7H6ClF2N
Molar mass
177.58 g/mol
Exact mass
177.0157 Da
logP
2.08Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
261762-45-2
SMILES
NCc1c(F)ccc(F)c1Cl
InChIKey
KDAQEMQCJMFSEP-UHFFFAOYSA-N
InChI
InChI=1S/C7H6ClF2N/c8-7-4(3-11)5(9)1-2-6(7)10/h1-2H,3,11H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 2-chloro-3,6-difluoro-
  • 2-Chloro-3,6-difluorobenzylamine
  • (2-Chloro-3,6-difluorophenyl)methanamine

Work with 2-Chloro-3,6-difluorobenzenemethanamine

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

2,6-Difluorobenzylamine69385-30-462 % similar 2-Chloro-3,6-difluorobenzenemethanol261762-44-159 % similar 2-(Bromomethyl)-3-chloro-1,4-difluorobenzene90292-67-459 % similar 2,3,6-Trifluorobenzenemethanamine230295-09-757 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-957 % similar 2-Chloro-3-fluorobenzenamine21397-08-042 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-342 % similar 3,4-Difluorobenzylamine72235-53-142 % similar

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

Elsewhere

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