1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone

C11H12FNO2 — CID 154828949

IUPAC1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC1
InChIInChI=1S/C11H12FNO2/c12-9-2-4-10(5-3-9)15-8-11(14)13-6-1-7-13/h2-5H,1,6-8H2
InChIKeyACUMHUGAAOSSJH-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.44
Rot. Bonds3

About 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone

1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 154828949) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID154828949
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCC1
InChIInChI=1S/C11H12FNO2/c12-9-2-4-10(5-3-9)15-8-11(14)13-6-1-7-13/h2-5H,1,6-8H2
InChIKeyACUMHUGAAOSSJH-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 119727742
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 119291699
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone (CID 154828949) is 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is ACUMHUGAAOSSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-2-4-10(5-3-9)15-8-11(14)13-6-1-7-13/h2-5H,1,6-8H2.
What are the key properties of 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 209.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 154828949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).