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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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-Amino-6-fluorobenzylamine175277-93-752 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-047 % similar 1-Chloro-2,6-difluorobenzene38361-37-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-2,6-difluorobenzylamine261762-46-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook