3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

C8H15F3N2 — CID 64833235

IUPAC3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1
InChIInChI=1S/C8H15F3N2/c1-7(2)5-13(4-3-12-7)6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyQPZMXULHSNQIOZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds1

About 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64833235) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64833235
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CN(CC(F)(F)F)CCN1
InChIInChI=1S/C8H15F3N2/c1-7(2)5-13(4-3-12-7)6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyQPZMXULHSNQIOZ-UHFFFAOYSA-N
XLogP1.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 64833235) is 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is CC1(C)CN(CC(F)(F)F)CCN1.
What is the InChIKey of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is QPZMXULHSNQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(2)5-13(4-3-12-7)6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 196.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64833235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).