3-Fluorophenethyl alcohol

C₈H₉FOCAS 52059-53-7140.16 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₈H₉FO
Molar mass: 140.16 g/mol
Exact mass: 140.0637 Da
logP: 1.36Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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

52059-53-7

SMILES

C1=CC(=CC(=C1)F)CCO

InChIKey

MZNBGEKFZCWVES-UHFFFAOYSA-N

InChI

InChI=1S/C8H9FO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6,10H,4-5H2

Weigh it out

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

Names and synonyms

1 names

2-(3-Fluorophenyl)ethanol

Work with 3-Fluorophenethyl alcohol

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

3-Fluorobenzyl alcohol456-47-363 % similar 4-Fluorobenzeneethanol7589-27-762 % similar 3-Hydroxybenzeneethanol13398-94-259 % similar 3-Fluorophenethyl bromide25017-13-459 % similar 3-Fluorophenethylamine404-70-659 % similar 2-(3-Chlorophenyl)ethanol5182-44-559 % similar 2-(3-Aminophenyl)ethanol52273-77-559 % similar 3-Methylbenzeneethanol1875-89-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(4-Fluorophenyl)ethanol101219-68-5 (-)-1-(4-Fluorophenyl)ethanol101219-73-2 (S)-1-(2-Fluorophenyl)ethanol171032-87-4 3-Fluoro-4-methylbenzyl alcohol192702-79-7 1-Fluoro-4-methoxy-2-methylbenzene2338-54-7 4-Fluoro-1-methoxy-2-methylbenzene399-54-2 2-Fluoro-4-methylanisole399-55-3 3-Fluoro-alpha-methylbenzenemethanol402-63-1

Elsewhere

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