3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine

C11H13BrFNO — CID 24902405

IUPAC3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(OCC2CCNC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(13)1-2-11(10)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyQNEGHFDEVKQVMR-UHFFFAOYSA-N
MW274.13 g/mol
LogP2.58
Rot. Bonds3

About 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine

3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine (PubChem CID 24902405) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine
PubChem CID24902405
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine
SMILESFc1ccc(OCC2CCNC2)c(Br)c1
InChIInChI=1S/C11H13BrFNO/c12-10-5-9(13)1-2-11(10)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyQNEGHFDEVKQVMR-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine?
The IUPAC name of 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine (CID 24902405) is 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine is Fc1ccc(OCC2CCNC2)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine?
The InChIKey is QNEGHFDEVKQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c12-10-5-9(13)1-2-11(10)15-7-8-3-4-14-6-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine?
3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine has a molecular weight of 274.13 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-fluorophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 24902405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).