1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine

C11H12ClF3N2 — CID 115101344

IUPAC1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccccc1Cl
InChIInChI=1S/C11H12ClF3N2/c12-8-3-1-2-4-9(8)17-6-5-16-7-10(17)11(13,14)15/h1-4,10,16H,5-7H2
InChIKeyGQBKQPWXYHRMJB-UHFFFAOYSA-N
MW264.68 g/mol
LogP2.68
Rot. Bonds1

About 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine

1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine (PubChem CID 115101344) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
PubChem CID115101344
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccccc1Cl
InChIInChI=1S/C11H12ClF3N2/c12-8-3-1-2-4-9(8)17-6-5-16-7-10(17)11(13,14)15/h1-4,10,16H,5-7H2
InChIKeyGQBKQPWXYHRMJB-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine (CID 115101344) is 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine?
The InChIKey is GQBKQPWXYHRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-8-3-1-2-4-9(8)17-6-5-16-7-10(17)11(13,14)15/h1-4,10,16H,5-7H2.
What are the key properties of 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine?
1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine has a molecular weight of 264.68 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).