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

C9H8ClF3N2OS — CID 115101440

IUPAC4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)s2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8ClF3N2OS/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)
InChIKeyBJVJKDIAWVPWFB-UHFFFAOYSA-N
MW284.69 g/mol
LogP2.27
Rot. Bonds1

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

4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one (PubChem CID 115101440) has the molecular formula C9H8ClF3N2OS and a molecular weight of 284.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
PubChem CID115101440
Molecular FormulaC9H8ClF3N2OS
Molecular Weight284.69 g/mol
Exact Mass284.00
IUPAC Name4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one
SMILESO=C1CN(c2ccc(Cl)s2)C(C(F)(F)F)CN1
InChIInChI=1S/C9H8ClF3N2OS/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)
InChIKeyBJVJKDIAWVPWFB-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-oxo-4-thiophen-2-ylpiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86795587
1-(5-Chlorothiophen-2-yl)-2-(trifluoromethyl)piperazine
CID 115101318
4-Thiophen-2-yl-5-(trifluoromethyl)piperazin-2-one
CID 115101438
1-(5-Chlorothiophen-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101570
1-(5-Chlorothiophen-2-yl)-3-(methylamino)pyrrolidin-2-one
CID 53767482
(3R)-1-(5-chlorothiophen-2-yl)-3-methylpiperazine
CID 67333182
N-(5-chlorothiophen-2-yl)piperazine-1-carboxamide
CID 69026880
1-(5-Chlorothiophen-2-yl)-3-methylpiperazine
CID 69379428
2-[(5-Chlorothiophen-2-yl)amino]acetamide
CID 115259703
N-(5-chlorothiophen-2-yl)-N-(2,6-dioxopiperidin-3-yl)pentanamide
CID 156408855
3-[(5-Chlorothiophen-2-yl)-methylamino]piperidine-2,6-dione
CID 175831682
2-Amino-1-[4-(5-chlorothiophen-2-yl)piperazin-1-yl]ethanone
CID 82484285

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one (CID 115101440) is 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one is O=C1CN(c2ccc(Cl)s2)C(C(F)(F)F)CN1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
The InChIKey is BJVJKDIAWVPWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2OS/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-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one?
4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one has a molecular weight of 284.69 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)piperazin-2-one is sourced from PubChem (CID 115101440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).