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

C9H10BrF3N2O — CID 115101315

IUPAC1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccc(Br)o1
InChIInChI=1S/C9H10BrF3N2O/c10-7-1-2-8(16-7)15-4-3-14-5-6(15)9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyJPYFGWDLNQWQCY-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.38
Rot. Bonds1

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

1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine (PubChem CID 115101315) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine
PubChem CID115101315
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine
SMILESFC(F)(F)C1CNCCN1c1ccc(Br)o1
InChIInChI=1S/C9H10BrF3N2O/c10-7-1-2-8(16-7)15-4-3-14-5-6(15)9(11,12)13/h1-2,6,14H,3-5H2
InChIKeyJPYFGWDLNQWQCY-UHFFFAOYSA-N
XLogP2.38
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312
1-(5-Chlorofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101314
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
4-(5-Bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101437
1-(Furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101697
1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101700
1-(Furan-2-yl)piperazine
CID 19763577
1-(Furan-2-yl)-3-methylpiperazine
CID 63949565
[1-(Furan-2-yl)piperazin-2-ylidene]methanone
CID 87059380
1-(5-Bromofuran-2-yl)-5-ethylpiperazin-2-one
CID 175703545
1-(3-Bromofuran-2-yl)piperazine
CID 63947992
1-(3-Bromofuran-2-yl)piperidin-4-amine
CID 63947994

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine?
The IUPAC name of 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine (CID 115101315) is 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine is FC(F)(F)C1CNCCN1c1ccc(Br)o1.
What is the InChIKey of 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine?
The InChIKey is JPYFGWDLNQWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/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-bromofuran-2-yl)-2-(trifluoromethyl)piperazine?
1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine has a molecular weight of 299.09 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromofuran-2-yl)-2-(trifluoromethyl)piperazine is sourced from PubChem (CID 115101315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).