2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine

C13H17F2NO2 — CID 117396154

IUPAC2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(F)cc(F)c(OC)c1C1(C)CCCN1
InChIInChI=1S/C13H17F2NO2/c1-13(5-4-6-16-13)10-11(17-2)8(14)7-9(15)12(10)18-3/h7,16H,4-6H2,1-3H3
InChIKeyYDUQWMKGSBMGBB-UHFFFAOYSA-N
MW257.28 g/mol
LogP2.58
Rot. Bonds3

About 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine

2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine (PubChem CID 117396154) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
PubChem CID117396154
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(F)cc(F)c(OC)c1C1(C)CCCN1
InChIInChI=1S/C13H17F2NO2/c1-13(5-4-6-16-13)10-11(17-2)8(14)7-9(15)12(10)18-3/h7,16H,4-6H2,1-3H3
InChIKeyYDUQWMKGSBMGBB-UHFFFAOYSA-N
XLogP2.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117361396
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117387927
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine (CID 117396154) is 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine is COc1c(F)cc(F)c(OC)c1C1(C)CCCN1.
What is the InChIKey of 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine?
The InChIKey is YDUQWMKGSBMGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-13(5-4-6-16-13)10-11(17-2)8(14)7-9(15)12(10)18-3/h7,16H,4-6H2,1-3H3.
What are the key properties of 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine?
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine has a molecular weight of 257.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117396154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).