ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate

C10H17F3N2O2 — CID 55025869

IUPACethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-9(16)7-14-3-5-15(6-4-14)8-10(11,12)13/h2-8H2,1H3
InChIKeyLNAGKNZQEUAIAI-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.73
Rot. Bonds4

About ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate

ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate (PubChem CID 55025869) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
PubChem CID55025869
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nameethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-9(16)7-14-3-5-15(6-4-14)8-10(11,12)13/h2-8H2,1H3
InChIKeyLNAGKNZQEUAIAI-UHFFFAOYSA-N
XLogP0.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate (CID 55025869) is ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
The InChIKey is LNAGKNZQEUAIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-17-9(16)7-14-3-5-15(6-4-14)8-10(11,12)13/h2-8H2,1H3.
What are the key properties of ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate?
ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate has a molecular weight of 254.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 55025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).