2-Fluoro-6-iodobenzonitrile

C₇H₃FINCAS 79544-29-9247.01 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₇H₃FIN
Molar mass: 247.01 g/mol
Exact mass: 246.9294 Da
logP: 2.30Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H332 Harmful if inhaled97.8% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

79544-29-9

SMILES

C1=CC(=C(C(=C1)I)C#N)F

InChIKey

FAACTMVXBNSPJA-UHFFFAOYSA-N

InChI

InChI=1S/C7H3FIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Weigh it out

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

Work with 2-Fluoro-6-iodobenzonitrile

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

2,6-Difluorobenzonitrile1897-52-569 % similar 2-Fluoro-6-methylbenzonitrile198633-76-061 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Chloro-6-fluorobenzonitrile668-45-158 % similar 2-Bromo-6-fluorobenzonitrile79544-27-758 % similar 2-Cyano-3-fluorophenol140675-43-056 % similar 2-Amino-6-fluorobenzonitrile77326-36-456 % similar 1-Fluoro-2-iodobenzene348-52-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-4-iodobenzonitrile137553-42-5 2-Fluoro-5-iodobenzonitrile351003-36-6 3-Fluoro-4-iodobenzonitrile887266-99-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook