1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole

C6H8Br3N — CID 139880344

IUPAC1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole
SMILESBrC(Br)(Br)CN1C=CCC1
InChIInChI=1S/C6H8Br3N/c7-6(8,9)5-10-3-1-2-4-10/h1,3H,2,4-5H2
InChIKeyYQFPRBQGNBUBDX-UHFFFAOYSA-N
MW333.85 g/mol
LogP3.04
Rot. Bonds1

About 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole

1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole (PubChem CID 139880344) has the molecular formula C6H8Br3N and a molecular weight of 333.85 g/mol. Its IUPAC name is 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole
PubChem CID139880344
Molecular FormulaC6H8Br3N
Molecular Weight333.85 g/mol
Exact Mass330.82
IUPAC Name1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole
SMILESBrC(Br)(Br)CN1C=CCC1
InChIInChI=1S/C6H8Br3N/c7-6(8,9)5-10-3-1-2-4-10/h1,3H,2,4-5H2
InChIKeyYQFPRBQGNBUBDX-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole (CID 139880344) is 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole is BrC(Br)(Br)CN1C=CCC1.
What is the InChIKey of 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole?
The InChIKey is YQFPRBQGNBUBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br3N/c7-6(8,9)5-10-3-1-2-4-10/h1,3H,2,4-5H2.
What are the key properties of 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole?
1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole has a molecular weight of 333.85 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-tribromoethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 139880344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).