5-Fluoro-2-iodoaniline

C₆H₅FINCAS 255724-71-1237.02 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

Danger

H301 Toxic if swallowed88.6% of notifiers
H302 Harmful if swallowed11.4% of notifiers
H312 Harmful in contact with skin11.4% of notifiers
H332 Harmful if inhaled11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

255724-71-1

SMILES

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

InChIKey

UCPDOOZBROQHME-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 5-Fluoro-2-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

4-Fluoro-1,2-phenylenediamine367-31-760 % similar 5-Fluoro-2-methylaniline367-29-357 % similar 2,4-Difluoro-1-iodobenzene2265-93-256 % similar 2,5-Difluoroaniline367-30-656 % similar 5-Fluoro-2-iodotoluene28490-56-454 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-854 % similar 2-Bromo-5-fluorobenzenamine1003-99-252 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-952 % 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 2-Fluoro-4-iodoaniline29632-74-4 4-Fluoro-2-iodoaniline61272-76-2 3-Fluoro-4-iodoaniline656-66-6 3-Fluoro-5-iodoaniline660-49-1

Elsewhere

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