1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine

C13H15BrF2N2 — CID 171524841

IUPAC1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine
SMILESFC1(F)Cc2cc(Br)ccc2C1N1CCNCC1
InChIInChI=1S/C13H15BrF2N2/c14-10-1-2-11-9(7-10)8-13(15,16)12(11)18-5-3-17-4-6-18/h1-2,7,12,17H,3-6,8H2
InChIKeyQWJNLRCOFQTUEZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.59
Rot. Bonds1

About 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine

1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine (PubChem CID 171524841) has the molecular formula C13H15BrF2N2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine.

Molecular Properties

Compound Name1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine
PubChem CID171524841
Molecular FormulaC13H15BrF2N2
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine
SMILESFC1(F)Cc2cc(Br)ccc2C1N1CCNCC1
InChIInChI=1S/C13H15BrF2N2/c14-10-1-2-11-9(7-10)8-13(15,16)12(11)18-5-3-17-4-6-18/h1-2,7,12,17H,3-6,8H2
InChIKeyQWJNLRCOFQTUEZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine 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-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine?
The IUPAC name of 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine (CID 171524841) is 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine.
What is the SMILES notation for 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine?
The canonical SMILES for 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine is FC1(F)Cc2cc(Br)ccc2C1N1CCNCC1.
What is the InChIKey of 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine?
The InChIKey is QWJNLRCOFQTUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2/c14-10-1-2-11-9(7-10)8-13(15,16)12(11)18-5-3-17-4-6-18/h1-2,7,12,17H,3-6,8H2.
What are the key properties of 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine?
1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine has a molecular weight of 317.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)piperazine is sourced from PubChem (CID 171524841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).