3,5-Difluoro-4-iodoaniline

C₆H₄F₂INCAS 1542-34-3255.01 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄F₂IN
Molar mass: 255.01 g/mol
Exact mass: 254.9357 Da
logP: 2.15Crippen 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

1542-34-3

SMILES

C1=C(C=C(C(=C1F)I)F)N

InChIKey

CHXXMQJPYOKYSB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F2IN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Weigh it out

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Work with 3,5-Difluoro-4-iodoaniline

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

3,4,5-Trifluorobenzenamine163733-96-857 % similar 4-Amino-2,6-difluorophenol126058-97-752 % similar 5-Bromo-1,3-difluoro-2-iodobenzene160976-02-352 % similar 4-Bromo-3,5-difluoroaniline203302-95-852 % similar 3-Fluoro-4-iodoaniline656-66-652 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-748 % similar 3,4-Difluoroaniline3863-11-448 % similar 3,5-Difluoro-4-methoxyaniline363-47-346 % similar

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

Same formula

2,6-Difluoro-4-iodoaniline141743-49-9

Elsewhere

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