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

C8H13F3N2O — CID 4079270

IUPAC1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11/h2-6H2,1H3
InChIKeyQXUTXTAYZAVQKI-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.71
Rot. Bonds1

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

1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 4079270) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone
PubChem CID4079270
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11/h2-6H2,1H3
InChIKeyQXUTXTAYZAVQKI-UHFFFAOYSA-N
XLogP0.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone (CID 4079270) is 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone is CCN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is QXUTXTAYZAVQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-12-3-5-13(6-4-12)7(14)8(9,10)11/h2-6H2,1H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone?
1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 210.20 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 4079270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).