2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine

C12H15F2NO — CID 117326742

IUPAC2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)ccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-12(6-3-7-15-12)8-4-5-9(13)10(14)11(8)16-2/h4-5,15H,3,6-7H2,1-2H3
InChIKeyJXDUTPOGMSYJBJ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.57
Rot. Bonds2

About 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine

2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine (PubChem CID 117326742) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
PubChem CID117326742
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
SMILESCOc1c(C2(C)CCCN2)ccc(F)c1F
InChIInChI=1S/C12H15F2NO/c1-12(6-3-7-15-12)8-4-5-9(13)10(14)11(8)16-2/h4-5,15H,3,6-7H2,1-2H3
InChIKeyJXDUTPOGMSYJBJ-UHFFFAOYSA-N
XLogP2.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(3-fluoro-2,4,5-trimethoxyphenyl)-2-methylpyrrolidine
CID 117426521
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117355185
2-(2,4-dimethoxy-3-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117422224
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(3-bromo-6-fluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117465124
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(3,4-dimethoxy-2-propan-2-yloxyphenyl)-2-methylpyrrolidine
CID 117448348

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine (CID 117326742) is 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine is COc1c(C2(C)CCCN2)ccc(F)c1F.
What is the InChIKey of 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine?
The InChIKey is JXDUTPOGMSYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(6-3-7-15-12)8-4-5-9(13)10(14)11(8)16-2/h4-5,15H,3,6-7H2,1-2H3.
What are the key properties of 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine?
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine has a molecular weight of 227.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117326742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).