1-(Difluoromethoxy)-4-iodobenzene

C₇H₅F₂IOCAS 128140-82-9270.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₅F₂IO
Molar mass: 270.02 g/mol
Exact mass: 269.9353 Da
logP: 2.89Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number

128140-82-9

SMILES

FC(F)Oc1ccc(I)cc1

InChIKey

KBNPQVHJUYEJIZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2IO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H

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Names and synonyms

2 names

Benzene, 1-(difluoromethoxy)-4-iodo-
4-(Difluoromethoxy)-1-iodobenzene

Work with 1-(Difluoromethoxy)-4-iodobenzene

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

(Difluoromethoxy)benzene458-92-456 % similar Alpha,alpha-Difluoro-p-methylanisole1583-83-156 % similar 4-(Difluoromethoxy)aniline22236-10-856 % similar 1-Bromo-4-(difluoromethoxy)benzene5905-69-156 % similar 4-(Difluoromethoxy)phenol87789-47-756 % similar p-(Difluoromethoxy)benzaldehyde73960-07-352 % similar 4-(Difluoromethoxy)benzylamine177842-14-750 % similar 4-(Difluoromethoxy)benzyl bromide3447-53-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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