1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C9H15F3N2O2 — CID 103806956

IUPAC1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1CN(C(=O)COCC(F)(F)F)CCN1
InChIInChI=1S/C9H15F3N2O2/c1-7-4-14(3-2-13-7)8(15)5-16-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyYWZFBLVFTSWUDX-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.39
Rot. Bonds3

About 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103806956) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103806956
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC1CN(C(=O)COCC(F)(F)F)CCN1
InChIInChI=1S/C9H15F3N2O2/c1-7-4-14(3-2-13-7)8(15)5-16-6-9(10,11)12/h7,13H,2-6H2,1H3
InChIKeyYWZFBLVFTSWUDX-UHFFFAOYSA-N
XLogP0.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103806956) is 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CC1CN(C(=O)COCC(F)(F)F)CCN1.
What is the InChIKey of 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is YWZFBLVFTSWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-7-4-14(3-2-13-7)8(15)5-16-6-9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 240.22 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103806956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).