2-Fluorodiphenyl ether

C₁₂H₉FOCAS 124330-20-7188.20 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₂H₉FO
Molar mass: 188.20 g/mol
Exact mass: 188.0637 Da
logP: 3.62Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

124330-20-7

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2F

InChIKey

PVFAQWWQJZQMBN-UHFFFAOYSA-N

InChI

InChI=1S/C12H9FO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Names and synonyms

1 names

1-Fluoro-2-phenoxybenzene

Work with 2-Fluorodiphenyl ether

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-Fluoro-6-phenoxybenzonitrile175204-06-561 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-953 % similar 2-Fluoroanisole321-28-852 % similar Diphenyl ether101-84-850 % similar 2-Methoxyphenyl phenyl ether1695-04-150 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-550 % similar 2-Phenoxyaniline2688-84-850 % similar 2-Chlorodiphenyl ether2689-07-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Fluoro[1,1′-biphenyl]-4-ol324-94-7 1-Fluoro-4-phenoxybenzene330-84-7

Elsewhere

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