4-Fluorobenzenepentanoic acid

C₁₁H₁₃FO₂CAS 24484-22-8196.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₁₃FO₂
Molar mass: 196.22 g/mol
Exact mass: 196.0900 Da
logP: 2.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Warning

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

Aggregated from 45 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

24484-22-8

SMILES

O=C(O)CCCCc1ccc(F)cc1

InChIKey

BXEFPLJKYWEEAN-UHFFFAOYSA-N

InChI

InChI=1S/C11H13FO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14)

Weigh it out

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

Names and synonyms

3 names

Benzenepentanoic acid, 4-fluoro-
Valeric acid, 5-(p-fluorophenyl)-
5-(4-Fluorophenyl)pentanoic acid

Work with 4-Fluorobenzenepentanoic acid

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

4-(4-Fluorophenyl)butanoic acid589-06-090 % similar 3-(4-Fluorophenyl)propionic acid459-31-477 % similar Benzenepentanoic acid2270-20-468 % similar 9-Phenylnonanoic acid16269-06-066 % similar 8-Phenyloctanoic acid26547-51-366 % similar 7-Phenyl heptanoic acid40228-90-866 % similar Benzenepentadecanoic acid40228-93-166 % similar 6-Phenylhexanoic acid5581-75-966 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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