chempirical

1-Fluoro-4-pentylbenzene

C11H15FCAS 28593-14-8166.24 g/mol

Open in Covalent MOL file
F
Aryl halide

Properties

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

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

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

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

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 Tetradecylbenzene1459-10-558 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook