2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine

C11H13BrFN — CID 146633764

IUPAC2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
SMILESCC1CCC(c2ccc(F)cc2Br)N1
InChIInChI=1S/C11H13BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7,11,14H,2,5H2,1H3
InChIKeyJRLPTUMROVKHOW-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.40
Rot. Bonds1

About 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine

2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine (PubChem CID 146633764) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
PubChem CID146633764
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine
SMILESCC1CCC(c2ccc(F)cc2Br)N1
InChIInChI=1S/C11H13BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7,11,14H,2,5H2,1H3
InChIKeyJRLPTUMROVKHOW-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine (CID 146633764) is 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine is CC1CCC(c2ccc(F)cc2Br)N1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine?
The InChIKey is JRLPTUMROVKHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7,11,14H,2,5H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine?
2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-5-methylpyrrolidine is sourced from PubChem (CID 146633764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).