2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine

C11H13BrFN — CID 57183523

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)ccc1CC1CCCN1
InChIInChI=1S/C11H13BrFN/c12-9-4-3-8(11(13)7-9)6-10-2-1-5-14-10/h3-4,7,10,14H,1-2,5-6H2
InChIKeyOAYTUVDGFJEDSO-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.88
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine

2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine (PubChem CID 57183523) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine
PubChem CID57183523
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine
SMILESFc1cc(Br)ccc1CC1CCCN1
InChIInChI=1S/C11H13BrFN/c12-9-4-3-8(11(13)7-9)6-10-2-1-5-14-10/h3-4,7,10,14H,1-2,5-6H2
InChIKeyOAYTUVDGFJEDSO-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine (CID 57183523) is 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine is Fc1cc(Br)ccc1CC1CCCN1.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine?
The InChIKey is OAYTUVDGFJEDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-9-4-3-8(11(13)7-9)6-10-2-1-5-14-10/h3-4,7,10,14H,1-2,5-6H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine?
2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 57183523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).