1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone

C8H11F3N2O2 — CID 14068994

IUPAC1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O2/c1-6(14)12-2-4-13(5-3-12)7(15)8(9,10)11/h2-5H2,1H3
InChIKeyRXVSHOPVFHUCSF-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.24
Rot. Bonds

About 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone

1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 14068994) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID14068994
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCC(=O)N1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O2/c1-6(14)12-2-4-13(5-3-12)7(15)8(9,10)11/h2-5H2,1H3
InChIKeyRXVSHOPVFHUCSF-UHFFFAOYSA-N
XLogP0.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 14068994) is 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone is CC(=O)N1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is RXVSHOPVFHUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-6(14)12-2-4-13(5-3-12)7(15)8(9,10)11/h2-5H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 224.18 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 14068994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).