chempirical

1-(3-Chloropropoxy)-4-fluorobenzene

C9H10ClFOCAS 1716-42-3188.63 g/mol

Open in Covalent MOL file
FOCl
Alkyl halideAryl halideEther

Properties

Molecular formula
C9H10ClFO
Molar mass
188.63 g/mol
Exact mass
188.0404 Da
Density
1.2519 g/mL (at 20 °C)
Boiling point
130–133 °C (at 15 Torr)
logP
2.83Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Identifiers

CAS number
1716-42-3
SMILES
Fc1ccc(OCCCCl)cc1
InChIKey
DFFWYMMOMUTKOI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10ClFO/c10-6-1-7-12-9-4-2-8(11)3-5-9/h2-5H,1,6-7H2

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

Names and synonyms

8 names
  • Benzene, 1-(3-chloropropoxy)-4-fluoro-
  • Ether, 3-chloropropyl p-fluorophenyl
  • 1-Chloro-3-(p-fluorophenoxy)propane
  • 1-Chloro-3-(4-fluorophenoxy)propane
  • 3-(p-Fluorophenoxy)propyl chloride
  • 3-Chloropropyl 4-fluorophenyl ether
  • 4-(3-Chloropropoxy)-1-fluorobenzene
  • 3-(4-Fluorophenoxy)propyl chloride

Work with 1-(3-Chloropropoxy)-4-fluorobenzene

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-Ethoxy-4-fluorobenzene459-26-753 % similar 2-(3-Chloropropyl)-2-(4-fluorophenyl)-1,3-dioxolane3308-94-949 % similar 1-Chloro-4-(2-chloroethoxy)benzene13001-28-047 % similar 1-(2-Chloroethyl)-4-fluorobenzene332-43-447 % similar 3-(4-Fluorophenoxy)propanoic acid1579-78-846 % similar (2-Chloroethoxy)benzene622-86-645 % similar 1-Fluoro-4-(phenylmethoxy)benzene370-78-544 % similar 4-Chloro-1-(4-fluorophenyl)-1-butanone3874-54-243 % similar

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

Elsewhere

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