3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine

C12H15F2NO — CID 84791339

IUPAC3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(F)c(CC2CCNC2)c1F
InChIInChI=1S/C12H15F2NO/c1-16-11-3-2-10(13)9(12(11)14)6-8-4-5-15-7-8/h2-3,8,15H,4-7H2,1H3
InChIKeyDWLLROSYTUIYSB-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.13
Rot. Bonds3

About 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine

3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine (PubChem CID 84791339) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
PubChem CID84791339
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine
SMILESCOc1ccc(F)c(CC2CCNC2)c1F
InChIInChI=1S/C12H15F2NO/c1-16-11-3-2-10(13)9(12(11)14)6-8-4-5-15-7-8/h2-3,8,15H,4-7H2,1H3
InChIKeyDWLLROSYTUIYSB-UHFFFAOYSA-N
XLogP2.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluoro-3,6-dimethoxyphenyl)methyl]pyrrolidine
CID 84799616
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
4-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 117398048
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]pyrrolidine
CID 84791855
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
3-[(4-fluoro-5-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84789080
3-[(2-ethyl-3,6-dimethoxyphenyl)methyl]piperidine
CID 117413501
3-[(2-chloro-3,6-dimethoxyphenyl)methyl]piperidine
CID 117427851
4-[(3-chloro-6-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398054

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine (CID 84791339) is 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine is COc1ccc(F)c(CC2CCNC2)c1F.
What is the InChIKey of 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine?
The InChIKey is DWLLROSYTUIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-11-3-2-10(13)9(12(11)14)6-8-4-5-15-7-8/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine?
3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-3-methoxyphenyl)methyl]pyrrolidine is sourced from PubChem (CID 84791339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).