3-Fluoro-4-iodoaniline

C₆H₅FINCAS 656-66-6237.02 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₅FIN
Molar mass: 237.02 g/mol
Exact mass: 236.9451 Da
logP: 2.01Crippen 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

656-66-6

SMILES

C1=CC(=C(C=C1N)F)I

InChIKey

KUVVJHBHRIXJKI-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FIN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2

Weigh it out

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

Work with 3-Fluoro-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-Difluoroaniline3863-11-460 % similar 3-Fluoro-4-methylaniline452-77-757 % similar 1,4-Diiodo-2-fluorobenzene147808-02-456 % similar 2,4-Difluoro-1-iodobenzene2265-93-256 % similar 3,5-Difluoro-4-iodoaniline1542-34-352 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-552 % similar 3-Chloro-4-iodobenzenamine135050-44-152 % similar 4-Chloro-3-fluorobenzenamine367-22-652 % similar

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

Same formula

2-Fluoro-3-iodo-5-methylpyridine153034-78-7 2-Fluoro-4-iodo-5-methylpyridine153034-94-7 5-Fluoro-2-iodoaniline255724-71-1 2-Fluoro-4-iodoaniline29632-74-4 4-Fluoro-2-iodoaniline61272-76-2 3-Fluoro-5-iodoaniline660-49-1

Elsewhere

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