2-Pentafluorophenoxyethanol

C₈H₅F₅O₂CAS 2192-55-4228.12 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₈H₅F₅O₂
Molar mass: 228.12 g/mol
Exact mass: 228.0210 Da
logP: 1.75Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

2192-55-4

SMILES

C(COC1=C(C(=C(C(=C1F)F)F)F)F)O

InChIKey

NPVVUYMVRISVGK-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F5O2/c9-3-4(10)6(12)8(15-2-1-14)7(13)5(3)11/h14H,1-2H2

Weigh it out

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Names and synonyms

1 names

2-(Pentafluorophenoxy)ethanol

Work with 2-Pentafluorophenoxyethanol

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

Hydroquinone bis(2-hydroxyethyl) ether104-38-142 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetic acid14892-14-942 % similar Phenoxyethanol122-99-638 % similar 2-(2,3,4,5,6-Pentafluorophenoxy)acetyl chloride55502-53-938 % similar 1,3-Bis(2-hydroxyethoxy)benzene102-40-937 % similar Tetrabromobisphenol A bis(2-hydroxyethyl) ether4162-45-235 % similar Diethylene glycol111-46-635 % similar Pentafluoromethoxybenzene389-40-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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