1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine

C9H10BrF3N2S — CID 115101319

IUPAC1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccc(Br)s1
InChIInChI=1S/C9H10BrF3N2S/c10-7-1-2-8(16-7)15-4-3-14-5-6(15)9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyIEBZCWIUNJHNDD-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.85
Rot. Bonds1

About 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine

1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101319) has the molecular formula C9H10BrF3N2S and a molecular weight of 315.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101319
Molecular FormulaC9H10BrF3N2S
Molecular Weight315.16 g/mol
Exact Mass313.97
IUPAC Name1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccc(Br)s1
InChIInChI=1S/C9H10BrF3N2S/c10-7-1-2-8(16-7)15-4-3-14-5-6(15)9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyIEBZCWIUNJHNDD-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine (CID 115101319) is 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is IEBZCWIUNJHNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2S/c10-7-1-2-8(16-7)15-4-3-14-5-6(15)9(11,12)13/h1-2,6,14H,3-5H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine?
1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 315.16 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).