2-(4-bromophenyl)-4-fluoropyrrolidine

C10H11BrFN — CID 84728357

IUPAC2-(4-bromophenyl)-4-fluoropyrrolidine
SMILESFC1CNC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H11BrFN/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-4,9-10,13H,5-6H2
InChIKeyQGLYMLXDLDZOID-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.82
Rot. Bonds1

About 2-(4-bromophenyl)-4-fluoropyrrolidine

2-(4-bromophenyl)-4-fluoropyrrolidine (PubChem CID 84728357) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-fluoropyrrolidine
PubChem CID84728357
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-(4-bromophenyl)-4-fluoropyrrolidine
SMILESFC1CNC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H11BrFN/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-4,9-10,13H,5-6H2
InChIKeyQGLYMLXDLDZOID-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-fluoropyrrolidine?
The IUPAC name of 2-(4-bromophenyl)-4-fluoropyrrolidine (CID 84728357) is 2-(4-bromophenyl)-4-fluoropyrrolidine.
What is the SMILES notation for 2-(4-bromophenyl)-4-fluoropyrrolidine?
The canonical SMILES for 2-(4-bromophenyl)-4-fluoropyrrolidine is FC1CNC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-fluoropyrrolidine?
The InChIKey is QGLYMLXDLDZOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-3-1-7(2-4-8)10-5-9(12)6-13-10/h1-4,9-10,13H,5-6H2.
What are the key properties of 2-(4-bromophenyl)-4-fluoropyrrolidine?
2-(4-bromophenyl)-4-fluoropyrrolidine has a molecular weight of 244.11 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-fluoropyrrolidine is sourced from PubChem (CID 84728357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).