2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine

C10H9BrF3N — CID 83854849

IUPAC2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine
SMILESFc1ccc(Br)c(C2CC(F)(F)CN2)c1
InChIInChI=1S/C10H9BrF3N/c11-8-2-1-6(12)3-7(8)9-4-10(13,14)5-15-9/h1-3,9,15H,4-5H2
InChIKeyWDDHWNQCFNCQNU-UHFFFAOYSA-N
MW280.09 g/mol
LogP3.26
Rot. Bonds1

About 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine

2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine (PubChem CID 83854849) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine
PubChem CID83854849
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine
SMILESFc1ccc(Br)c(C2CC(F)(F)CN2)c1
InChIInChI=1S/C10H9BrF3N/c11-8-2-1-6(12)3-7(8)9-4-10(13,14)5-15-9/h1-3,9,15H,4-5H2
InChIKeyWDDHWNQCFNCQNU-UHFFFAOYSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine (CID 83854849) is 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine is Fc1ccc(Br)c(C2CC(F)(F)CN2)c1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine?
The InChIKey is WDDHWNQCFNCQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N/c11-8-2-1-6(12)3-7(8)9-4-10(13,14)5-15-9/h1-3,9,15H,4-5H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine?
2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine has a molecular weight of 280.09 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-4,4-difluoropyrrolidine is sourced from PubChem (CID 83854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).