2-Fluoro-4-iodophenol

C₆H₄FIOCAS 2713-28-2238.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄FIO
Molar mass: 238.00 g/mol
Exact mass: 237.9291 Da
logP: 2.14Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2713-28-2

SMILES

C1=CC(=C(C=C1I)F)O

InChIKey

FDOQGGGFQVVOBN-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FIO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

Weigh it out

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

Work with 2-Fluoro-4-iodophenol

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-iodobenzene64248-58-460 % similar 1,4-Diiodo-2-fluorobenzene147808-02-456 % similar 2,4-Difluorophenol367-27-156 % similar 2-Fluoro-4-iodo-1-methylbenzene39998-81-754 % similar 1-Bromo-2-fluoro-4-iodobenzene136434-77-052 % similar 1-Chloro-2-fluoro-4-iodobenzene202982-67-052 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar 2-Fluoro-4-iodoaniline29632-74-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook