4-(4-Fluorophenyl)butanoic acid

C₁₀H₁₁FO₂CAS 589-06-0182.19 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₁₁FO₂
Molar mass: 182.19 g/mol
Exact mass: 182.0743 Da
Melting point: 30 °C
Boiling point: 161–164 °C (at 4 Torr)
logP: 2.23Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed88.4% of notifiers
H315 Causes skin irritation11.6% of notifiers
H318 Causes serious eye damage88.4% of notifiers
H319 Causes serious eye irritation11.6% of notifiers
H335 May cause respiratory irritation11.6% of notifiers

Aggregated from 43 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

589-06-0

SMILES

O=C(O)CCCc1ccc(F)cc1

InChIKey

XVQYBBYOYJXQBF-UHFFFAOYSA-N

InChI

InChI=1S/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

Weigh it out

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

Names and synonyms

6 names

Benzenebutanoic acid, 4-fluoro-
Butyric acid, 4-(p-fluorophenyl)-
4-Fluorobenzenebutanoic acid
4-(p-Fluorophenyl)butyric acid
4-(4-Fluorophenyl)butyric acid
NSC 409583

Work with 4-(4-Fluorophenyl)butanoic 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-Fluorobenzenepentanoic acid24484-22-890 % similar 3-(4-Fluorophenyl)propionic acid459-31-479 % similar 4-Phenylbutyric acid1821-12-167 % similar 4-Hydroxybenzenebutanoic acid7021-11-666 % similar (4-Fluorophenyl)acetic acid405-50-565 % similar 4-(4-Aminophenyl)butanoic acid15118-60-264 % similar 4-(4-Bromophenyl)butanoic acid35656-89-464 % similar 4-Methylbenzenebutanoic acid4521-22-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-fluorophenylacetate584-74-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook