4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one

C9H8BrF3N2O2 — CID 115101437

IUPAC4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Br)o2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8BrF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyAWIMKSORFSMRQM-UHFFFAOYSA-N
MW313.07 g/mol
LogP1.91
Rot. Bonds1

About 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one

4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101437) has the molecular formula C9H8BrF3N2O2 and a molecular weight of 313.07 g/mol. Its IUPAC name is 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101437
Molecular FormulaC9H8BrF3N2O2
Molecular Weight313.07 g/mol
Exact Mass311.97
IUPAC Name4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Br)o2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8BrF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16)
InChIKeyAWIMKSORFSMRQM-UHFFFAOYSA-N
XLogP1.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 51.91
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-Bromofuran-2-yl)-2-(trifluoromethyl)piperazine
CID 115101315
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
4-(5-Chlorofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101436
1-(5-Bromofuran-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101700
6-bromo-2-(trifluoromethyl)-1H,2H,3H,4H-furo[2,3-b]pyrazin-3-one
CID 131396157
4-(Furan-2-yl)piperazine-2-carbaldehyde
CID 88762737
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-3-amine
CID 63950608
1-(3-Bromofuran-2-yl)-3-methylpiperazine
CID 63950611
4-Bromo-5-piperazin-1-ylfuran-2-amine
CID 98770127

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one (CID 115101437) is 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one is O=C1CN(c2ccc(Br)o2)C(C(F)(F)F)CN1.
What is the InChIKey of 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is AWIMKSORFSMRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O2/c10-6-1-2-8(17-6)15-4-7(16)14-3-5(15)9(11,12)13/h1-2,5H,3-4H2,(H,14,16).
What are the key properties of 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one?
4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 313.07 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-yl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).