1-[2-(trifluoromethyl)phenyl]piperazine

C11H13F3N2 — CID 2777670

IUPAC1-[2-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccccc1N1CCNCC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeyVZUBMIDXJRGARE-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.12
Rot. Bonds1

About 1-[2-(trifluoromethyl)phenyl]piperazine

1-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 2777670) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID2777670
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name1-[2-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccccc1N1CCNCC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2
InChIKeyVZUBMIDXJRGARE-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]piperazine (CID 2777670) is 1-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccccc1N1CCNCC1.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is VZUBMIDXJRGARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-3-1-2-4-10(9)16-7-5-15-6-8-16/h1-4,15H,5-8H2.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]piperazine?
1-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 230.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 2777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).