1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

C11H18F4N2O2 — CID 56748804

IUPAC1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCC1CN(C(=O)COCC(F)(F)C(F)F)CCN1
InChIInChI=1S/C11H18F4N2O2/c1-2-8-5-17(4-3-16-8)9(18)6-19-7-11(14,15)10(12)13/h8,10,16H,2-7H2,1H3
InChIKeyUETOEIFCSCEHQI-UHFFFAOYSA-N
MW286.27 g/mol
LogP1.11
Rot. Bonds6

About 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone

1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (PubChem CID 56748804) has the molecular formula C11H18F4N2O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.

Molecular Properties

Compound Name1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
PubChem CID56748804
Molecular FormulaC11H18F4N2O2
Molecular Weight286.27 g/mol
Exact Mass286.13
IUPAC Name1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
SMILESCCC1CN(C(=O)COCC(F)(F)C(F)F)CCN1
InChIInChI=1S/C11H18F4N2O2/c1-2-8-5-17(4-3-16-8)9(18)6-19-7-11(14,15)10(12)13/h8,10,16H,2-7H2,1H3
InChIKeyUETOEIFCSCEHQI-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The IUPAC name of 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone (CID 56748804) is 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone.
What is the SMILES notation for 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The canonical SMILES for 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is CCC1CN(C(=O)COCC(F)(F)C(F)F)CCN1.
What is the InChIKey of 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
The InChIKey is UETOEIFCSCEHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4N2O2/c1-2-8-5-17(4-3-16-8)9(18)6-19-7-11(14,15)10(12)13/h8,10,16H,2-7H2,1H3.
What are the key properties of 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone?
1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone has a molecular weight of 286.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperazin-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone is sourced from PubChem (CID 56748804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).