2-Fluoro-4-iodo-1-methylbenzene

C7H6FICAS 39998-81-7236.03 g/mol

Open in Covalent MOL file
IF
Aryl halide

Properties

Molecular formula
C7H6FI
Molar mass
236.03 g/mol
Exact mass
235.9498 Da
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
39998-81-7
SMILES
Cc1ccc(I)cc1F
InChIKey
QZLWTFTXGKKCHZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FI/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 2-fluoro-4-iodo-1-methyl-
  • 2-Fluoro-4-iodotoluene
  • 4-Iodo-2-fluorotoluene

Work with 2-Fluoro-4-iodo-1-methylbenzene

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

1,2-Difluoro-4-iodobenzene64248-58-463 % similar 1-Iodo-3,4-dimethylbenzene31599-61-858 % similar 1,4-Diiodo-2-fluorobenzene147808-02-458 % similar 2,4-Difluoro-1-methylbenzene452-76-658 % similar 1-Bromo-2-fluoro-4-iodobenzene136434-77-054 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-054 % similar 2-Fluoro-4-iodophenol2713-28-254 % similar 2-Fluoro-4-iodoaniline29632-74-454 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluoro-2-iodo-1-methylbenzene13194-67-7 5-Fluoro-2-iodotoluene28490-56-4 1-Fluoro-3-iodo-2-methylbenzene443-85-6 1-Fluoro-4-iodo-2-methylbenzene452-68-6 2-Fluoro-1-iodo-4-methylbenzene452-79-9 1-Fluoro-2-iodo-4-methylbenzene452-82-4 4-Fluoro-1-iodo-2-methylbenzene66256-28-8 1-Fluoro-2-iodo-3-methylbenzene883502-14-5

Elsewhere

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