2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone

C10H11BrF2N2OS — CID 116840409

IUPAC2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone
SMILESO=C(N1CCNCC1)C(F)(F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF2N2OS/c11-8-2-1-7(17-8)10(12,13)9(16)15-5-3-14-4-6-15/h1-2,14H,3-6H2
InChIKeyVROUMFBCLMGPLC-UHFFFAOYSA-N
MW325.18 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone

2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone (PubChem CID 116840409) has the molecular formula C10H11BrF2N2OS and a molecular weight of 325.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone
PubChem CID116840409
Molecular FormulaC10H11BrF2N2OS
Molecular Weight325.18 g/mol
Exact Mass323.97
IUPAC Name2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone
SMILESO=C(N1CCNCC1)C(F)(F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF2N2OS/c11-8-2-1-7(17-8)10(12,13)9(16)15-5-3-14-4-6-15/h1-2,14H,3-6H2
InChIKeyVROUMFBCLMGPLC-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone (CID 116840409) is 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone is O=C(N1CCNCC1)C(F)(F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone?
The InChIKey is VROUMFBCLMGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2OS/c11-8-2-1-7(17-8)10(12,13)9(16)15-5-3-14-4-6-15/h1-2,14H,3-6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone?
2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone has a molecular weight of 325.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2,2-difluoro-1-piperazin-1-ylethanone is sourced from PubChem (CID 116840409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).