1-(2,3,5,6-tetrafluorophenyl)piperazine

C10H10F4N2 — CID 21363751

IUPAC1-(2,3,5,6-tetrafluorophenyl)piperazine
SMILESFc1cc(F)c(F)c(N2CCNCC2)c1F
InChIInChI=1S/C10H10F4N2/c11-6-5-7(12)9(14)10(8(6)13)16-3-1-15-2-4-16/h5,15H,1-4H2
InChIKeyUBZOXXHDDNSIJP-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.65
Rot. Bonds1

About 1-(2,3,5,6-tetrafluorophenyl)piperazine

1-(2,3,5,6-tetrafluorophenyl)piperazine (PubChem CID 21363751) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluorophenyl)piperazine.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluorophenyl)piperazine
PubChem CID21363751
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name1-(2,3,5,6-tetrafluorophenyl)piperazine
SMILESFc1cc(F)c(F)c(N2CCNCC2)c1F
InChIInChI=1S/C10H10F4N2/c11-6-5-7(12)9(14)10(8(6)13)16-3-1-15-2-4-16/h5,15H,1-4H2
InChIKeyUBZOXXHDDNSIJP-UHFFFAOYSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.65
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-(2,3,5,6-tetrafluorophenyl)piperazine?
The IUPAC name of 1-(2,3,5,6-tetrafluorophenyl)piperazine (CID 21363751) is 1-(2,3,5,6-tetrafluorophenyl)piperazine.
What is the SMILES notation for 1-(2,3,5,6-tetrafluorophenyl)piperazine?
The canonical SMILES for 1-(2,3,5,6-tetrafluorophenyl)piperazine is Fc1cc(F)c(F)c(N2CCNCC2)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluorophenyl)piperazine?
The InChIKey is UBZOXXHDDNSIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2/c11-6-5-7(12)9(14)10(8(6)13)16-3-1-15-2-4-16/h5,15H,1-4H2.
What are the key properties of 1-(2,3,5,6-tetrafluorophenyl)piperazine?
1-(2,3,5,6-tetrafluorophenyl)piperazine has a molecular weight of 234.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluorophenyl)piperazine is sourced from PubChem (CID 21363751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).