1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone

C11H14BrFN2OS — CID 154705084

IUPAC1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone
SMILESO=C(CF)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H14BrFN2OS/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13/h1-2H,3-8H2
InChIKeyJKDDQOGINMLAFT-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.12
Rot. Bonds3

About 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone

1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone (PubChem CID 154705084) has the molecular formula C11H14BrFN2OS and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone.

Molecular Properties

Compound Name1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone
PubChem CID154705084
Molecular FormulaC11H14BrFN2OS
Molecular Weight321.22 g/mol
Exact Mass320.00
IUPAC Name1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone
SMILESO=C(CF)N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C11H14BrFN2OS/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13/h1-2H,3-8H2
InChIKeyJKDDQOGINMLAFT-UHFFFAOYSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone?
The IUPAC name of 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone (CID 154705084) is 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone.
What is the SMILES notation for 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone?
The canonical SMILES for 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone is O=C(CF)N1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone?
The InChIKey is JKDDQOGINMLAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2OS/c12-10-2-1-9(17-10)8-14-3-5-15(6-4-14)11(16)7-13/h1-2H,3-8H2.
What are the key properties of 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone?
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone has a molecular weight of 321.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-fluoroethanone is sourced from PubChem (CID 154705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).