2,2-difluoro-1-piperazin-1-ylpropan-1-one

C7H12F2N2O — CID 116840399

IUPAC2,2-difluoro-1-piperazin-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCNCC1
InChIInChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-4-2-10-3-5-11/h10H,2-5H2,1H3
InChIKeyGJQRBASKOKKZLX-UHFFFAOYSA-N
MW178.18 g/mol
LogP0.07
Rot. Bonds1

About 2,2-difluoro-1-piperazin-1-ylpropan-1-one

2,2-difluoro-1-piperazin-1-ylpropan-1-one (PubChem CID 116840399) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,2-difluoro-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-piperazin-1-ylpropan-1-one
PubChem CID116840399
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name2,2-difluoro-1-piperazin-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCNCC1
InChIInChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-4-2-10-3-5-11/h10H,2-5H2,1H3
InChIKeyGJQRBASKOKKZLX-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
ethanol;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 156843506
3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 22120293
2-amino-1-(1,4-diazepan-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 79796528
sulfanylidenemethanone;2,2,2-trifluoro-1-piperazin-1-ylethanone
CID 175551342
1-(1,4-diazepan-1-yl)-2,2,2-trifluoroethanone;hydrochloride
CID 50944168
2-tert-butyl-2,4,4-trimethyl-1-piperazin-1-ylpentan-1-one
CID 142030371
2-ethyl-2-hydroxy-1-piperazin-1-ylbutan-1-one
CID 142001842
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,2-difluoropropan-1-one
CID 130815525
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450
ethene;1-piperazin-1-ylethanone
CID 145071339

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-piperazin-1-ylpropan-1-one (CID 116840399) is 2,2-difluoro-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-piperazin-1-ylpropan-1-one is CC(F)(F)C(=O)N1CCNCC1.
What is the InChIKey of 2,2-difluoro-1-piperazin-1-ylpropan-1-one?
The InChIKey is GJQRBASKOKKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-7(8,9)6(12)11-4-2-10-3-5-11/h10H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-1-piperazin-1-ylpropan-1-one?
2,2-difluoro-1-piperazin-1-ylpropan-1-one has a molecular weight of 178.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 116840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).