1-(2,4,5-trifluorophenyl)piperazine

C10H11F3N2 — CID 11321882

IUPAC1-(2,4,5-trifluorophenyl)piperazine
SMILESFc1cc(F)c(N2CCNCC2)cc1F
InChIInChI=1S/C10H11F3N2/c11-7-5-9(13)10(6-8(7)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyWVAKHIYATQYPCS-UHFFFAOYSA-N
MW216.21 g/mol
LogP1.51
Rot. Bonds1

About 1-(2,4,5-trifluorophenyl)piperazine

1-(2,4,5-trifluorophenyl)piperazine (PubChem CID 11321882) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 1-(2,4,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,4,5-trifluorophenyl)piperazine
PubChem CID11321882
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name1-(2,4,5-trifluorophenyl)piperazine
SMILESFc1cc(F)c(N2CCNCC2)cc1F
InChIInChI=1S/C10H11F3N2/c11-7-5-9(13)10(6-8(7)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2
InChIKeyWVAKHIYATQYPCS-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-trifluorophenyl)piperazine?
The IUPAC name of 1-(2,4,5-trifluorophenyl)piperazine (CID 11321882) is 1-(2,4,5-trifluorophenyl)piperazine.
What is the SMILES notation for 1-(2,4,5-trifluorophenyl)piperazine?
The canonical SMILES for 1-(2,4,5-trifluorophenyl)piperazine is Fc1cc(F)c(N2CCNCC2)cc1F.
What is the InChIKey of 1-(2,4,5-trifluorophenyl)piperazine?
The InChIKey is WVAKHIYATQYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2/c11-7-5-9(13)10(6-8(7)12)15-3-1-14-2-4-15/h5-6,14H,1-4H2.
What are the key properties of 1-(2,4,5-trifluorophenyl)piperazine?
1-(2,4,5-trifluorophenyl)piperazine has a molecular weight of 216.21 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trifluorophenyl)piperazine is sourced from PubChem (CID 11321882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).