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

C11H13BrFNO — CID 84713802

IUPAC2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Br)c(C2CCCN2)c1F
InChIInChI=1S/C11H13BrFNO/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyLXDALNBIDIYVQP-UHFFFAOYSA-N
MW274.13 g/mol
LogP3.02
Rot. Bonds2

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

2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine (PubChem CID 84713802) has the molecular formula C11H13BrFNO and a molecular weight of 274.13 g/mol. Its IUPAC name is 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
PubChem CID84713802
Molecular FormulaC11H13BrFNO
Molecular Weight274.13 g/mol
Exact Mass273.02
IUPAC Name2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Br)c(C2CCCN2)c1F
InChIInChI=1S/C11H13BrFNO/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3
InChIKeyLXDALNBIDIYVQP-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
2-(6-bromo-2,3-dimethoxyphenyl)piperidine
CID 117483535
(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(2-bromo-4,6-dimethoxyphenyl)pyrrolidine
CID 117460943
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
CID 117465016
2-bromo-1,4-difluorobenzene;(2R)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 162046061
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
4-bromo-3-fluoro-6-methoxy-2-piperidin-2-ylphenol
CID 117489094
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine?
The IUPAC name of 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine (CID 84713802) is 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine is COc1ccc(Br)c(C2CCCN2)c1F.
What is the InChIKey of 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine?
The InChIKey is LXDALNBIDIYVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8/h4-5,8,14H,2-3,6H2,1H3.
What are the key properties of 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine?
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine has a molecular weight of 274.13 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 84713802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).