2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine

C13H17F2NO — CID 117355185

IUPAC2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1c(F)ccc(C2(C)CCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-13(6-3-7-16-13)10-4-5-11(14)9(8-17-2)12(10)15/h4-5,16H,3,6-8H2,1-2H3
InChIKeyTXZJXTHRFOOSSZ-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.71
Rot. Bonds3

About 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine

2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine (PubChem CID 117355185) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
PubChem CID117355185
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
SMILESCOCc1c(F)ccc(C2(C)CCCN2)c1F
InChIInChI=1S/C13H17F2NO/c1-13(6-3-7-16-13)10-4-5-11(14)9(8-17-2)12(10)15/h4-5,16H,3,6-8H2,1-2H3
InChIKeyTXZJXTHRFOOSSZ-UHFFFAOYSA-N
XLogP2.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-fluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117320154
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742
2-[5-chloro-2-(methoxymethyl)phenyl]-2-methylpyrrolidine
CID 117352130
2-[4-(methoxymethyl)-1,3-benzodioxol-5-yl]-2-methylpyrrolidine
CID 117376091
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
2-[3-fluoro-2-(fluoromethyl)phenyl]-2-methylpyrrolidine
CID 117301634
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
CID 117116945
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
2-(3-chloro-2,6-difluorophenyl)-2-methylpyrrolidine
CID 117335369
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The IUPAC name of 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine (CID 117355185) is 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine is COCc1c(F)ccc(C2(C)CCCN2)c1F.
What is the InChIKey of 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
The InChIKey is TXZJXTHRFOOSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(6-3-7-16-13)10-4-5-11(14)9(8-17-2)12(10)15/h4-5,16H,3,6-8H2,1-2H3.
What are the key properties of 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine?
2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine has a molecular weight of 241.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-difluoro-3-(methoxymethyl)phenyl]-2-methylpyrrolidine is sourced from PubChem (CID 117355185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).