(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

C8H15F3N2 — CID 94983103

IUPAC(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@@H]1CN(CC(F)(F)F)[C@@H](C)CN1
InChIInChI=1S/C8H15F3N2/c1-6-4-13(5-8(9,10)11)7(2)3-12-6/h6-7,12H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyNLLHLVKHFIWMIW-RQJHMYQMSA-N
MW196.22 g/mol
LogP1.23
Rot. Bonds1

About (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine

(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 94983103) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID94983103
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name(2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine
SMILESC[C@@H]1CN(CC(F)(F)F)[C@@H](C)CN1
InChIInChI=1S/C8H15F3N2/c1-6-4-13(5-8(9,10)11)7(2)3-12-6/h6-7,12H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyNLLHLVKHFIWMIW-RQJHMYQMSA-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 (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine (CID 94983103) is (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is C[C@@H]1CN(CC(F)(F)F)[C@@H](C)CN1.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is NLLHLVKHFIWMIW-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-6-4-13(5-8(9,10)11)7(2)3-12-6/h6-7,12H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine?
(2S,5R)-2,5-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 (2S,5R)-2,5-dimethyl-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 94983103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).