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

C8H13F3N2O — CID 91588786

IUPAC1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13-4-3-12-5-6(13)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUOKSBCOOHGOPEO-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.41
Rot. Bonds2

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

1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone (PubChem CID 91588786) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone
PubChem CID91588786
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Name1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone
SMILESCCN1CCNCC1C(=O)C(F)(F)F
InChIInChI=1S/C8H13F3N2O/c1-2-13-4-3-12-5-6(13)7(14)8(9,10)11/h6,12H,2-5H2,1H3
InChIKeyUOKSBCOOHGOPEO-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone (CID 91588786) is 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone is CCN1CCNCC1C(=O)C(F)(F)F.
What is the InChIKey of 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is UOKSBCOOHGOPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-13-4-3-12-5-6(13)7(14)8(9,10)11/h6,12H,2-5H2,1H3.
What are the key properties of 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone?
1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 210.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperazin-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91588786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).