1-(2,3,4-trifluorophenyl)piperazine;hydrochloride

C10H12ClF3N2 — CID 90330803

IUPAC1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCNCC2)c(F)c1F
InChIInChI=1S/C10H11F3N2.ClH/c11-7-1-2-8(10(13)9(7)12)15-5-3-14-4-6-15;/h1-2,14H,3-6H2;1H
InChIKeyQWGMTFMRRMUAIL-UHFFFAOYSA-N
MW252.67 g/mol
LogP1.94
Rot. Bonds1

About 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride

1-(2,3,4-trifluorophenyl)piperazine;hydrochloride (PubChem CID 90330803) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
PubChem CID90330803
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name1-(2,3,4-trifluorophenyl)piperazine;hydrochloride
SMILESCl.Fc1ccc(N2CCNCC2)c(F)c1F
InChIInChI=1S/C10H11F3N2.ClH/c11-7-1-2-8(10(13)9(7)12)15-5-3-14-4-6-15;/h1-2,14H,3-6H2;1H
InChIKeyQWGMTFMRRMUAIL-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride (CID 90330803) is 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride is Cl.Fc1ccc(N2CCNCC2)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride?
The InChIKey is QWGMTFMRRMUAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.ClH/c11-7-1-2-8(10(13)9(7)12)15-5-3-14-4-6-15;/h1-2,14H,3-6H2;1H.
What are the key properties of 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride?
1-(2,3,4-trifluorophenyl)piperazine;hydrochloride has a molecular weight of 252.67 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 90330803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).