2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine

C12H15BrFN — CID 79743122

IUPAC2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine
SMILESCCC1(c2cc(Br)ccc2F)CCCN1
InChIInChI=1S/C12H15BrFN/c1-2-12(6-3-7-15-12)10-8-9(13)4-5-11(10)14/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyJWSZZTPAXDKQGO-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.58
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine

2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine (PubChem CID 79743122) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine
PubChem CID79743122
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine
SMILESCCC1(c2cc(Br)ccc2F)CCCN1
InChIInChI=1S/C12H15BrFN/c1-2-12(6-3-7-15-12)10-8-9(13)4-5-11(10)14/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyJWSZZTPAXDKQGO-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325
4-(2-ethylpyrrolidin-2-yl)-3-fluoropyridine
CID 104738401
2-[(5-bromo-2-fluorophenyl)methyl]-2-ethylpyrrolidine
CID 66466909
2-(2-bromophenyl)-2-ethylazepane
CID 115059389
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-ethyl-2-(2-fluoro-4,6-dimethylphenyl)pyrrolidine
CID 106881701
2-[(5-bromo-2-fluorophenyl)methyl]-2-cyclopropylpyrrolidine
CID 66466031
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
5-bromo-2-(2-ethylpyrrolidin-2-yl)-6-fluoro-1H-benzimidazole
CID 83070190
5-bromo-1-cyclopropyl-2-(2-ethylpyrrolidin-2-yl)benzimidazole
CID 83058754
(5-bromo-2-fluorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614148
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine (CID 79743122) is 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine is CCC1(c2cc(Br)ccc2F)CCCN1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine?
The InChIKey is JWSZZTPAXDKQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-2-12(6-3-7-15-12)10-8-9(13)4-5-11(10)14/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine?
2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-2-ethylpyrrolidine is sourced from PubChem (CID 79743122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).