2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine

C11H13BrFN — CID 84709372

IUPAC2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c(C2CCCN2)c1Br
InChIInChI=1S/C11H13BrFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3
InChIKeyQYQJWBTZAYMXJF-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.32
Rot. Bonds1

About 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine

2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine (PubChem CID 84709372) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
PubChem CID84709372
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine
SMILESCc1ccc(F)c(C2CCCN2)c1Br
InChIInChI=1S/C11H13BrFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3
InChIKeyQYQJWBTZAYMXJF-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2R)-2-(2-chloro-6-fluoro-3-methylphenyl)pyrrolidine
CID 66518682
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2R)-2-(2-bromo-6-chloro-3-fluorophenyl)pyrrolidine
CID 131096633
2-(3-bromo-4-fluoro-2-methylphenyl)pyrrolidine
CID 84805783
2-(2-bromo-6-methoxy-3-methylphenyl)piperidine
CID 84813026
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
2-(3-bromo-4-fluoro-2-methylphenyl)piperidine
CID 84809680

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine?
The IUPAC name of 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine (CID 84709372) is 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine is Cc1ccc(F)c(C2CCCN2)c1Br.
What is the InChIKey of 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine?
The InChIKey is QYQJWBTZAYMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7-4-5-8(13)10(11(7)12)9-3-2-6-14-9/h4-5,9,14H,2-3,6H2,1H3.
What are the key properties of 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine?
2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine has a molecular weight of 258.13 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoro-3-methylphenyl)pyrrolidine is sourced from PubChem (CID 84709372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).