2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride

C7H14ClF3N2 — CID 71757579

IUPAC2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride
SMILESCC1CNCCN1CC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2.ClH/c1-6-4-11-2-3-12(6)5-7(8,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyXJXLJUVZIQQEJR-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.26
Rot. Bonds1

About 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride

2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride (PubChem CID 71757579) has the molecular formula C7H14ClF3N2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride
PubChem CID71757579
Molecular FormulaC7H14ClF3N2
Molecular Weight218.65 g/mol
Exact Mass218.08
IUPAC Name2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride
SMILESCC1CNCCN1CC(F)(F)F.Cl
InChIInChI=1S/C7H13F3N2.ClH/c1-6-4-11-2-3-12(6)5-7(8,9)10;/h6,11H,2-5H2,1H3;1H
InChIKeyXJXLJUVZIQQEJR-UHFFFAOYSA-N
XLogP1.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride (CID 71757579) is 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride is CC1CNCCN1CC(F)(F)F.Cl.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride?
The InChIKey is XJXLJUVZIQQEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2.ClH/c1-6-4-11-2-3-12(6)5-7(8,9)10;/h6,11H,2-5H2,1H3;1H.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride?
2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride has a molecular weight of 218.65 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethyl)piperazine;hydrochloride is sourced from PubChem (CID 71757579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).