2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone

C12H14F2N2O2 — CID 81268372

IUPAC2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
SMILESO=C(COc1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O2/c13-9-2-1-3-10(14)12(9)18-8-11(17)16-6-4-15-5-7-16/h1-3,15H,4-8H2
InChIKeyKFUMZMTXUUBWGX-UHFFFAOYSA-N
MW256.25 g/mol
LogP0.78
Rot. Bonds3

About 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone

2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone (PubChem CID 81268372) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
PubChem CID81268372
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone
SMILESO=C(COc1c(F)cccc1F)N1CCNCC1
InChIInChI=1S/C12H14F2N2O2/c13-9-2-1-3-10(14)12(9)18-8-11(17)16-6-4-15-5-7-16/h1-3,15H,4-8H2
InChIKeyKFUMZMTXUUBWGX-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-6-fluorophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 104831403
1-[2-(2-chloro-6-fluorophenoxy)acetyl]piperidine-4-carboxylic acid
CID 83052469
3-(2-fluoro-6-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 104831742
2-(2,3-difluorophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402946
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
2-[2-(hydroxymethyl)phenoxy]-1-piperazin-1-ylethanone
CID 63653956
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
3-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 112611706
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone (CID 81268372) is 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone is O=C(COc1c(F)cccc1F)N1CCNCC1.
What is the InChIKey of 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone?
The InChIKey is KFUMZMTXUUBWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-9-2-1-3-10(14)12(9)18-8-11(17)16-6-4-15-5-7-16/h1-3,15H,4-8H2.
What are the key properties of 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone?
2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone has a molecular weight of 256.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenoxy)-1-piperazin-1-ylethanone is sourced from PubChem (CID 81268372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).