2-Chloro-3,5-difluoroaniline

C₆H₄ClF₂NCAS 36556-60-2163.55 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄ClF₂N
Molar mass: 163.55 g/mol
Exact mass: 163.0000 Da
logP: 2.20Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

36556-60-2

SMILES

C1=C(C=C(C(=C1N)Cl)F)F

InChIKey

XDHOQZCRADUDRI-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClF2N/c7-6-4(9)1-3(8)2-5(6)10/h1-2H,10H2

Weigh it out

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

Work with 2-Chloro-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

1-Chloro-2,4,6-trifluorobenzene2106-40-367 % similar 1,2-Diamino-3,5-difluorobenzene2369-29-157 % similar 2,3,5-Trifluoroaniline363-80-457 % similar 2-Amino-4,6-difluorophenol133788-83-753 % similar 2-Chloro-3-fluorobenzenamine21397-08-052 % similar 2,4-Difluoroaniline367-25-948 % similar 2,5-Difluoroaniline367-30-648 % similar 2,4,6-Trifluorobenzenamine363-81-548 % similar

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

Same formula

2-Chloro-4,5-difluoroaniline2613-32-3 2-Chloro-4,6-difluoroaniline36556-56-6 4-Chloro-2,6-difluorobenzenamine69411-06-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook