4-Cyano-2-fluorobenzyl alcohol

C₈H₆FNOCAS 219873-06-0151.14 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Nitrile

Properties

Molecular formula: C₈H₆FNO
Molar mass: 151.14 g/mol
Exact mass: 151.0433 Da
logP: 1.19Crippen estimate
Polar surface area: 44.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

219873-06-0

SMILES

C1=CC(=C(C=C1C#N)F)CO

InChIKey

YGAURRAHPYQHDC-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2

Weigh it out

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

Names and synonyms

1 names

3-Fluoro-4-hydroxymethylbenzonitrile

Work with 4-Cyano-2-fluorobenzyl 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

2-Fluoro-4-cyanobenzyl bromide105942-09-467 % similar 3,4-Difluorobenzonitrile64248-62-060 % similar 4-Cyano-2-fluorophenol405-04-958 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-656 % similar 2,4-Difluorobenzenemethanol56456-47-456 % similar 4-Chloro-3-fluorobenzonitrile110888-15-853 % similar 4-Bromo-3-fluorobenzonitrile133059-44-653 % similar 3-Fluoro-4-methylbenzonitrile170572-49-353 % similar

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

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 2-Fluoro-5-methoxybenzonitrile127667-01-0 1-Fluoro-4-(isocyanatomethyl)benzene132740-43-3 5-Fluoro-2-methoxybenzonitrile189628-38-4 2-Fluoro-5-methylphenyl isocyanate190774-50-6 4-Fluoro-2-methoxybenzonitrile191014-55-8 4-Fluoro-3-methoxybenzonitrile243128-37-2 3-Fluoro-4-methoxybenzonitrile331-62-4

Elsewhere

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