2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane

C13H16ClFO2 — CID 112613659

IUPAC2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
SMILESFc1cccc(CCl)c1OCCC1CCCO1
InChIInChI=1S/C13H16ClFO2/c14-9-10-3-1-5-12(15)13(10)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9H2
InChIKeyIFIDTKJCKKFZDM-UHFFFAOYSA-N
MW258.72 g/mol
LogP3.51
Rot. Bonds5

About 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane

2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane (PubChem CID 112613659) has the molecular formula C13H16ClFO2 and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
PubChem CID112613659
Molecular FormulaC13H16ClFO2
Molecular Weight258.72 g/mol
Exact Mass258.08
IUPAC Name2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
SMILESFc1cccc(CCl)c1OCCC1CCCO1
InChIInChI=1S/C13H16ClFO2/c14-9-10-3-1-5-12(15)13(10)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9H2
InChIKeyIFIDTKJCKKFZDM-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015
2-fluoro-6-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107014133
N-[[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 65158931

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane (CID 112613659) is 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane is Fc1cccc(CCl)c1OCCC1CCCO1.
What is the InChIKey of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane?
The InChIKey is IFIDTKJCKKFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO2/c14-9-10-3-1-5-12(15)13(10)17-8-6-11-4-2-7-16-11/h1,3,5,11H,2,4,6-9H2.
What are the key properties of 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane?
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane has a molecular weight of 258.72 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane is sourced from PubChem (CID 112613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).