1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine

C12H14BrF3N2 — CID 67513524

IUPAC1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrF3N2/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16/h1-4H,5-9H2
InChIKeyIBWRNPLEYCUSLZ-UHFFFAOYSA-N
MW323.16 g/mol
LogP3.13
Rot. Bonds2

About 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 67513524) has the molecular formula C12H14BrF3N2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID67513524
Molecular FormulaC12H14BrF3N2
Molecular Weight323.16 g/mol
Exact Mass322.03
IUPAC Name1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H14BrF3N2/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16/h1-4H,5-9H2
InChIKeyIBWRNPLEYCUSLZ-UHFFFAOYSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 67513524) is 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is IBWRNPLEYCUSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2/c13-10-1-3-11(4-2-10)18-7-5-17(6-8-18)9-12(14,15)16/h1-4H,5-9H2.
What are the key properties of 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 323.16 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 67513524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).