2-(trifluoromethyl)piperazine

C5H9F3N2 — CID 18519725

IUPAC2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2
InChIKeyYNEJOOCZWXGXDU-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.11
Rot. Bonds

About 2-(trifluoromethyl)piperazine

2-(trifluoromethyl)piperazine (PubChem CID 18519725) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name2-(trifluoromethyl)piperazine
PubChem CID18519725
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1
InChIInChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2
InChIKeyYNEJOOCZWXGXDU-UHFFFAOYSA-N
XLogP0.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperazine?
The IUPAC name of 2-(trifluoromethyl)piperazine (CID 18519725) is 2-(trifluoromethyl)piperazine.
What is the SMILES notation for 2-(trifluoromethyl)piperazine?
The canonical SMILES for 2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1.
What is the InChIKey of 2-(trifluoromethyl)piperazine?
The InChIKey is YNEJOOCZWXGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c6-5(7,8)4-3-9-1-2-10-4/h4,9-10H,1-3H2.
What are the key properties of 2-(trifluoromethyl)piperazine?
2-(trifluoromethyl)piperazine has a molecular weight of 154.13 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperazine is sourced from PubChem (CID 18519725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).