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

C11H11BrFNO2 — CID 78799892

IUPAC1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Br)cc1F)N1CCC1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-3-10(9(13)6-8)16-7-11(15)14-4-1-5-14/h2-3,6H,1,4-5,7H2
InChIKeyQKDGASOVPMVCIT-UHFFFAOYSA-N
MW288.12 g/mol
LogP2.20
Rot. Bonds3

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

1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone (PubChem CID 78799892) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
PubChem CID78799892
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(Br)cc1F)N1CCC1
InChIInChI=1S/C11H11BrFNO2/c12-8-2-3-10(9(13)6-8)16-7-11(15)14-4-1-5-14/h2-3,6H,1,4-5,7H2
InChIKeyQKDGASOVPMVCIT-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-(5-bromo-2-fluorophenoxy)ethanone
CID 115918563
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251036
2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856
ethyl 1-[2-(4-bromo-2-fluorophenoxy)acetyl]piperidine-4-carboxylate
CID 78766115
2-(4-bromo-2-fluorophenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 26365760
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 124592217
2-(2,4-dibromophenoxy)-1-[4-[2-(2,4-dibromophenoxy)acetyl]piperazin-1-yl]ethanone
CID 5163017
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-bromo-2-fluorophenoxy)ethanone
CID 119485838
2-(4-amino-2-fluorophenoxy)-1-(azepan-1-yl)ethanone
CID 43259286
2-(4-bromo-2-fluorophenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 17498992
2-(1,6-dibromonaphthalen-2-yl)oxy-1-pyrrolidin-1-ylethanone
CID 3330511
2-(4-bromo-2-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119637827

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone (CID 78799892) is 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone is O=C(COc1ccc(Br)cc1F)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone?
The InChIKey is QKDGASOVPMVCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c12-8-2-3-10(9(13)6-8)16-7-11(15)14-4-1-5-14/h2-3,6H,1,4-5,7H2.
What are the key properties of 1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone?
1-(azetidin-1-yl)-2-(4-bromo-2-fluorophenoxy)ethanone has a molecular weight of 288.12 g/mol, XLogP of 2.20, 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-bromo-2-fluorophenoxy)ethanone is sourced from PubChem (CID 78799892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).