3-Chloro-2,6-difluorobenzylamine

C₇H₆ClF₂NCAS 261762-46-3177.58 g/mol

Open in Covalent MOL file

Aryl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

261762-46-3

SMILES

C1=CC(=C(C(=C1F)CN)F)Cl

InChIKey

VKKBGPPYRLLFIL-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H,3,11H2

Weigh it out

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Work with 3-Chloro-2,6-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

2,3,6-Trifluorobenzenemethanamine230295-09-768 % similar 2-(Bromomethyl)-4-chloro-1,3-difluorobenzene261762-47-463 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-961 % similar 3-Chloro-2,6-difluorobenzeneacetonitrile261762-55-457 % similar 2,3,4-Trifluorochlorobenzene36556-42-055 % similar 2,6-Difluorobenzylamine69385-30-455 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-352 % similar

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

Same formula

2-Chloro-3,6-difluorobenzenemethanamine261762-45-2

Elsewhere

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