(S)-1-(2-Fluorophenyl)ethanol

C₈H₉FOCAS 171032-87-4140.16 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: 1.88Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

171032-87-4

SMILES

C[C@@H](C1=CC=CC=C1F)O

InChIKey

SXFYVXSOEBCFLV-LURJTMIESA-N

InChI

InChI=1S/C8H9FO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(1S)-1-(2-Fluorophenyl)ethan-1-ol

Work with (S)-1-(2-Fluorophenyl)ethanol

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Fluoro-α-methylbenzenemethanol445-26-1Stereo not defined

Similar compounds

1-(2-Bromophenyl)ethan-1-ol114446-55-855 % similar (R)-1-(2-Bromophenyl)ethanol76116-20-655 % similar (1R)-1-(2-Chlorophenyl)ethan-1-ol120466-66-253 % similar (S)-1-(2-Chlorophenyl)ethanol131864-71-653 % similar 1-(2-Chlorophenyl)ethanol13524-04-453 % similar 1-(2-(Trifluoromethyl)phenyl)ethanol79756-81-353 % similar 1-(Naphthalen-1-yl)ethan-1-ol15914-84-852 % similar (R)-(+)-Alpha-methyl-1-naphthalenemethanol42177-25-352 % 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 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-α-methylbenzenemethanol402-63-1 1-(4-Fluorophenyl)ethanol403-41-8

Elsewhere

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