2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine

C12H15BrFNO — CID 117465016

IUPAC2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(Br)c(CC2CCCN2)c1F
InChIInChI=1S/C12H15BrFNO/c1-16-11-5-4-10(13)9(12(11)14)7-8-3-2-6-15-8/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyJQQZDOBEIYGKKL-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.89
Rot. Bonds3

About 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine

2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine (PubChem CID 117465016) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
PubChem CID117465016
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(Br)c(CC2CCCN2)c1F
InChIInChI=1S/C12H15BrFNO/c1-16-11-5-4-10(13)9(12(11)14)7-8-3-2-6-15-8/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyJQQZDOBEIYGKKL-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(6-bromo-3-fluoro-2-methoxyphenyl)methyl]pyrrolidine
CID 117465019
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812952
2-[[2,3-dimethoxy-6-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117467262
2-[(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methyl]pyrrolidine
CID 117385517
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
3-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117296060
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-[(3-bromo-2,5,6-trifluorophenyl)methyl]pyrrolidine
CID 117118294
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine (CID 117465016) is 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine is COc1ccc(Br)c(CC2CCCN2)c1F.
What is the InChIKey of 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is JQQZDOBEIYGKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-11-5-4-10(13)9(12(11)14)7-8-3-2-6-15-8/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine?
2-[(6-bromo-2-fluoro-3-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 288.16 g/mol, XLogP of 2.89, 3 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)methyl]pyrrolidine is sourced from PubChem (CID 117465016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).