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

C12H14ClFO2 — CID 112613634

IUPAC2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
SMILESFc1cccc(CCl)c1OCC1CCCO1
InChIInChI=1S/C12H14ClFO2/c13-7-9-3-1-5-11(14)12(9)16-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2
InChIKeyQHKYFRJHPAIJPW-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.12
Rot. Bonds4

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

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane (PubChem CID 112613634) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
PubChem CID112613634
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
SMILESFc1cccc(CCl)c1OCC1CCCO1
InChIInChI=1S/C12H14ClFO2/c13-7-9-3-1-5-11(14)12(9)16-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2
InChIKeyQHKYFRJHPAIJPW-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.12
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-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795
4-(chloromethyl)-3-fluoro-2-(oxolan-2-ylmethoxy)pyridine
CID 105383749
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-1H-isochromene
CID 115956628
2-(2,6-difluorophenoxy)-N-(oxolan-2-ylmethyl)ethanamine
CID 81269052
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956641
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,2,3,4-tetrahydronaphthalene
CID 115956622
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane (CID 112613634) is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane is Fc1cccc(CCl)c1OCC1CCCO1.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane?
The InChIKey is QHKYFRJHPAIJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-7-9-3-1-5-11(14)12(9)16-8-10-4-2-6-15-10/h1,3,5,10H,2,4,6-8H2.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane?
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane has a molecular weight of 244.69 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane is sourced from PubChem (CID 112613634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).