2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine

C12H15BrFN — CID 117432844

IUPAC2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
SMILESCc1c(Br)cc(F)cc1C1(C)CCCN1
InChIInChI=1S/C12H15BrFN/c1-8-10(6-9(14)7-11(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3
InChIKeyNETGZBARSBMFQF-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.50
Rot. Bonds1

About 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine

2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine (PubChem CID 117432844) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
PubChem CID117432844
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine
SMILESCc1c(Br)cc(F)cc1C1(C)CCCN1
InChIInChI=1S/C12H15BrFN/c1-8-10(6-9(14)7-11(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3
InChIKeyNETGZBARSBMFQF-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Bromophenyl)pyrrolidine
CID 4202301
[(5-Bromo-2-fluorophenyl)methyl](prop-2-en-1-yl)amine
CID 28419754
4-bromo-2,3-dihydro-1H-isoindole
CID 14795870
6-Bromo-4-fluoro-2,3-dihydro-1H-isoindole
CID 18629358
4-Bromo-Isoindoline HCl
CID 44228644
2-(4-Bromo-3-fluorophenyl)pyrrolidine
CID 53403624
2-(4-Bromo-3-methylphenyl)pyrrolidine
CID 53403625
5-Bromo-1,2,3,4-tetrahydro-1-methylisoquinoline
CID 59662594
8-Bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 63272497
5-Bromo-8-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 64387339
4-bromo-7-fluoro-2,3-dihydro-1H-isoindole
CID 84049417
8-Bromo-7-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 84693243

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine (CID 117432844) is 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine is Cc1c(Br)cc(F)cc1C1(C)CCCN1.
What is the InChIKey of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine?
The InChIKey is NETGZBARSBMFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-8-10(6-9(14)7-11(8)13)12(2)4-3-5-15-12/h6-7,15H,3-5H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine?
2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine has a molecular weight of 272.16 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluoro-2-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117432844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).