2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane

C11H12ClFO3 — CID 82086347

IUPAC2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
SMILESFc1ccc(OCCC2OCCO2)c(Cl)c1
InChIInChI=1S/C11H12ClFO3/c12-9-7-8(13)1-2-10(9)14-4-3-11-15-5-6-16-11/h1-2,7,11H,3-6H2
InChIKeyLFKWXPKHZIZKLX-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.62
Rot. Bonds4

About 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane

2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane (PubChem CID 82086347) has the molecular formula C11H12ClFO3 and a molecular weight of 246.66 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
PubChem CID82086347
Molecular FormulaC11H12ClFO3
Molecular Weight246.66 g/mol
Exact Mass246.05
IUPAC Name2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane
SMILESFc1ccc(OCCC2OCCO2)c(Cl)c1
InChIInChI=1S/C11H12ClFO3/c12-9-7-8(13)1-2-10(9)14-4-3-11-15-5-6-16-11/h1-2,7,11H,3-6H2
InChIKeyLFKWXPKHZIZKLX-UHFFFAOYSA-N
XLogP2.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-iodo-4,5-dihydro-1,3-oxazole
CID 70235439
2-(2-chloro-4-fluorophenoxy)ethanethiol
CID 79019887
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
2-[2-(2,6-dichlorophenoxy)ethyl]-1,3-dioxolane
CID 82091052
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-fluorobenzene
CID 63665649
N-[3-(2-chloro-4-fluorophenoxy)propyl]cyclopentanamine
CID 62598567
2-[2-(4-chloro-2-methylphenoxy)ethyl]-1,3-dioxane
CID 66474760
[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 120966941
3-(2-chloro-4-fluorophenoxy)-1-[(3S,5R)-3,4,5-trihydroxypiperidin-1-yl]propan-1-one
CID 166254986
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane (CID 82086347) is 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane is Fc1ccc(OCCC2OCCO2)c(Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane?
The InChIKey is LFKWXPKHZIZKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3/c12-9-7-8(13)1-2-10(9)14-4-3-11-15-5-6-16-11/h1-2,7,11H,3-6H2.
What are the key properties of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane?
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane has a molecular weight of 246.66 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-1,3-dioxolane is sourced from PubChem (CID 82086347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).