1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone

C9H16F2N2O — CID 51357995

IUPAC1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(14)13-5-3-12(4-6-13)7-9(2,10)11/h3-7H2,1-2H3
InChIKeyLTXNHYBUGKTXEN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.81
Rot. Bonds2

About 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone

1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone (PubChem CID 51357995) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone
PubChem CID51357995
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CC(C)(F)F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(14)13-5-3-12(4-6-13)7-9(2,10)11/h3-7H2,1-2H3
InChIKeyLTXNHYBUGKTXEN-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dipropionylpiperazine
CID 95171
1,1-Dimethyl-4-acetylpiperazinium
CID 4392675
Piperazine, 4-methyl-1-propionyl-
CID 114361
1,4-Bis(trifluoroacetyl)piperazine
CID 239003
2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
1-[4-(2,2-Difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
CID 787902
1-(4-Acetylpiperazin-1-yl)propan-1-one
CID 22956481
2,2-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 45505225
1-(4-Ethyl-1-piperazinyl)-2,2,2-trifluoroethanone
CID 4079270
2,2,3,3,3-Pentafluoro-1-(4-methyl-piperazin-1-yl)-propan-1-one
CID 10105941
US10214537, Example 167
CID 20596512
1-(4,4-Dimethylpiperazin-4-ium-1-yl)-2,2,2-trifluoroethanone
CID 13994781

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone (CID 51357995) is 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CC(C)(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone?
The InChIKey is LTXNHYBUGKTXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(14)13-5-3-12(4-6-13)7-9(2,10)11/h3-7H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone?
1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51357995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).