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

C8H15F3N2 — CID 54595820

IUPAC2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CNCCN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(2)5-12-3-4-13(7)6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyYSHOPHVZCRWGNS-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds1

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

2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 54595820) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID54595820
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESCC1(C)CNCCN1CC(F)(F)F
InChIInChI=1S/C8H15F3N2/c1-7(2)5-12-3-4-13(7)6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyYSHOPHVZCRWGNS-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 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 54595820) is 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is CC1(C)CNCCN1CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is YSHOPHVZCRWGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(2)5-12-3-4-13(7)6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
2,2-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 2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 54595820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).