1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone

C9H16F2N2O — CID 51358000

IUPAC1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC(F)F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(14)13-6-4-12(5-7-13)3-2-9(10)11/h9H,2-7H2,1H3
InChIKeyIGRHBPITIPTGPB-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.81
Rot. Bonds3

About 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone

1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone (PubChem CID 51358000) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone
PubChem CID51358000
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC(F)F)CC1
InChIInChI=1S/C9H16F2N2O/c1-8(14)13-6-4-12(5-7-13)3-2-9(10)11/h9H,2-7H2,1H3
InChIKeyIGRHBPITIPTGPB-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone (CID 51358000) is 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(CCC(F)F)CC1.
What is the InChIKey of 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone?
The InChIKey is IGRHBPITIPTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-8(14)13-6-4-12(5-7-13)3-2-9(10)11/h9H,2-7H2,1H3.
What are the key properties of 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone?
1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51358000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).