2-ethyl-1-(1,2,2-trifluoroethyl)piperazine

C8H15F3N2 — CID 174972427

IUPAC2-ethyl-1-(1,2,2-trifluoroethyl)piperazine
SMILESCCC1CNCCN1C(F)C(F)F
InChIInChI=1S/C8H15F3N2/c1-2-6-5-12-3-4-13(6)8(11)7(9)10/h6-8,12H,2-5H2,1H3
InChIKeyMYYODOBCJQMNCJ-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds3

About 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine

2-ethyl-1-(1,2,2-trifluoroethyl)piperazine (PubChem CID 174972427) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2-ethyl-1-(1,2,2-trifluoroethyl)piperazine
PubChem CID174972427
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-ethyl-1-(1,2,2-trifluoroethyl)piperazine
SMILESCCC1CNCCN1C(F)C(F)F
InChIInChI=1S/C8H15F3N2/c1-2-6-5-12-3-4-13(6)8(11)7(9)10/h6-8,12H,2-5H2,1H3
InChIKeyMYYODOBCJQMNCJ-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
2-ethyl-1-pentan-2-ylpiperazine
CID 64938053
1-(2-ethylpiperazin-1-yl)ethanamine;piperazine
CID 174305416
1-(2,2-difluoroethyl)-2-ethylpiperazine
CID 63600944
1-(1-cyclopentylethyl)-2-ethylpiperazine
CID 64932721
2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64931133
1-[1-(1-adamantyl)ethyl]-2-ethylpiperazine
CID 64938236
2-ethyl-1-(2-methylbutyl)piperazine
CID 63601291
2-ethyl-1-[1-(5-methylthiophen-2-yl)ethyl]piperazine
CID 64930896
2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine (CID 174972427) is 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine is CCC1CNCCN1C(F)C(F)F.
What is the InChIKey of 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine?
The InChIKey is MYYODOBCJQMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-2-6-5-12-3-4-13(6)8(11)7(9)10/h6-8,12H,2-5H2,1H3.
What are the key properties of 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine?
2-ethyl-1-(1,2,2-trifluoroethyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 174972427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).