3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine

C12H15BrFNO2 — CID 117489218

IUPAC3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(Br)c(C2CCNC2)c(F)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-9-5-8(13)10(7-3-4-15-6-7)11(14)12(9)17-2/h5,7,15H,3-4,6H2,1-2H3
InChIKeySWXRAULQAIAMCE-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.68
Rot. Bonds3

About 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine

3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine (PubChem CID 117489218) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
PubChem CID117489218
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
SMILESCOc1cc(Br)c(C2CCNC2)c(F)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-9-5-8(13)10(7-3-4-15-6-7)11(14)12(9)17-2/h5,7,15H,3-4,6H2,1-2H3
InChIKeySWXRAULQAIAMCE-UHFFFAOYSA-N
XLogP2.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-bromo-4-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117468431
4-chloro-3-fluoro-6-methoxy-2-pyrrolidin-3-ylphenol
CID 117366622
3-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)pyrrolidine
CID 117465146
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465158
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
CID 117465048
3-(2-chloro-3,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 117392479

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine?
The IUPAC name of 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine (CID 117489218) is 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine is COc1cc(Br)c(C2CCNC2)c(F)c1OC.
What is the InChIKey of 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine?
The InChIKey is SWXRAULQAIAMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-16-9-5-8(13)10(7-3-4-15-6-7)11(14)12(9)17-2/h5,7,15H,3-4,6H2,1-2H3.
What are the key properties of 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine?
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine has a molecular weight of 304.16 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine is sourced from PubChem (CID 117489218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).