chempirical

2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane

C12H14ClFO2CAS 3308-94-9244.69 g/mol

Open in Covalent MOL file
FClOO
AcetalAlkyl halideAryl halideEther

Properties

Molecular formula
C12H14ClFO2
Molar mass
244.69 g/mol
Exact mass
244.0666 Da
Boiling point
101–103 °C (at 0.2 Torr)
logP
3.04Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3308-94-9
SMILES
Fc1ccc(C2(CCCCl)OCCO2)cc1
InChIKey
FXFDJSQOCVDXBX-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClFO2/c13-7-1-6-12(15-8-9-16-12)10-2-4-11(14)5-3-10/h2-5H,1,6-9H2

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Names and synonyms

20 names · show all
  • 1,3-Dioxolane, 2-(3-chloropropyl)-2-(4-fluorophenyl)-
  • 1,3-Dioxolane, 2-(3-chloropropyl)-2-(p-fluorophenyl)-
  • 2-(3-Chloropropyl)-2-(p-fluorophenyl)-1,3-dioxolane
  • 4-Chloro-p-fluorobutyrophenone cyclic ethylene acetal
  • 4-(p-Fluorophenyl)-4,4-ethylenedioxy-1-chlorobutane
  • 4-(4-Fluorophenyl)-4,4-ethylenedioxy-1-chlorobutane
  • 4-Chloro-1-(p-fluorophenyl)-1-butanone cyclic ethylene acetal
  • 1-Chloro-4,4-(ethylenedioxy)-4-(4-fluorophenyl)butane
  • 1,1-(Ethylenedioxy)-4-chloro-1-(4-fluorophenyl)butane
  • 2-(3-Chloropropyl)-2-(p-fluorophenyl)dioxolane
  • 4,4-(Ethylenedioxy)-4-(4-fluorophenyl)butyl chloride
  • 1-(4-Fluorophenyl)-4-chlorobutan-1-one ethylene ketal
  • 2-(3-Chloropropyl)-2-(4′-fluorophenyl)-1,3-dioxolane
  • 3-p-Fluorobenzoylpropyl chloride ethylene ketal
  • 3-Chloropropyl 4-fluorophenyl ketone ethylene ketal
  • 4-Chloro-4′-fluorobutyrophenone cyclic ethylene ketal
  • 2-(3-Chloropropyl)-2-(4-fluorophenyl)dioxolane
  • 4′-Fluoro-4-chlorobutyrophenone ethylene ketal
  • 2-(4-Fluorophenyl)-2-(3-chloropropyl)-1,3-dioxolane
  • 4-Chloro-1,1-ethylenedioxy-1-(4-fluorophenyl)butane

Work with 2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane

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

1-(3-Chloropropoxy)-4-fluorobenzene1716-42-349 % similar 1-(2-Chloroethyl)-4-fluorobenzene332-43-440 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-238 % similar 4,4',4''-Trifluorotrityl alcohol379-57-737 % similar 1-Fluoro-4-(trichloromethyl)benzene402-42-637 % similar 4-(4-Fluorophenyl)piperidin-4-ol3888-65-137 % similar 4-Fluorobenzyl chloride352-11-434 % similar 4-Fluorobenzotrifluoride402-44-834 % similar

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

Elsewhere

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