2-(3-bromo-4-fluorophenyl)pyrrolidine

C10H11BrFN — CID 53403566

IUPAC2-(3-bromo-4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCCN2)cc1Br
InChIInChI=1S/C10H11BrFN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyNXJKUAVUUUVOOC-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.01
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)pyrrolidine

2-(3-bromo-4-fluorophenyl)pyrrolidine (PubChem CID 53403566) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)pyrrolidine
PubChem CID53403566
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name2-(3-bromo-4-fluorophenyl)pyrrolidine
SMILESFc1ccc(C2CCCN2)cc1Br
InChIInChI=1S/C10H11BrFN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKeyNXJKUAVUUUVOOC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)pyrrolidine (CID 53403566) is 2-(3-bromo-4-fluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)pyrrolidine is Fc1ccc(C2CCCN2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)pyrrolidine?
The InChIKey is NXJKUAVUUUVOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN/c11-8-6-7(3-4-9(8)12)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)pyrrolidine?
2-(3-bromo-4-fluorophenyl)pyrrolidine has a molecular weight of 244.11 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 53403566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).