1-Fluoro-4-pentylbenzene

C₁₁H₁₅FCAS 28593-14-8166.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₅F
Molar mass: 166.24 g/mol
Exact mass: 166.1158 Da
logP: 3.56Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from the 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

28593-14-8

SMILES

CCCCCc1ccc(F)cc1

InChIKey

UUAAALCIWZDBDT-UHFFFAOYSA-N

InChI

InChI=1S/C11H15F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3

Weigh it out

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Names and synonyms

2 names

Benzene, 1-fluoro-4-pentyl-
p-Fluoropentylbenzene

Work with 1-Fluoro-4-pentylbenzene

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

Pentylbenzene538-68-160 % similar Decylbenzene104-72-358 % similar Hexylbenzene1077-16-358 % similar Heptylbenzene1078-71-358 % similar n-Nonylbenzene1081-77-258 % similar Dodecylbenzene123-01-358 % similar Tridecylbenzene123-02-458 % similar Hexadecylbenzene1459-09-258 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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