3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole

C12H13F2NO2 — CID 134531950

IUPAC3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole
SMILESCOC1=NCC(c2c(F)cc(OC)cc2F)C1
InChIInChI=1S/C12H13F2NO2/c1-16-8-4-9(13)12(10(14)5-8)7-3-11(17-2)15-6-7/h4-5,7H,3,6H2,1-2H3
InChIKeyYELHWOSUGIJSBE-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.51
Rot. Bonds2

About 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole

3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole (PubChem CID 134531950) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole
PubChem CID134531950
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole
SMILESCOC1=NCC(c2c(F)cc(OC)cc2F)C1
InChIInChI=1S/C12H13F2NO2/c1-16-8-4-9(13)12(10(14)5-8)7-3-11(17-2)15-6-7/h4-5,7H,3,6H2,1-2H3
InChIKeyYELHWOSUGIJSBE-UHFFFAOYSA-N
XLogP2.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole?
The IUPAC name of 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole (CID 134531950) is 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole is COC1=NCC(c2c(F)cc(OC)cc2F)C1.
What is the InChIKey of 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole?
The InChIKey is YELHWOSUGIJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-16-8-4-9(13)12(10(14)5-8)7-3-11(17-2)15-6-7/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole?
3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole has a molecular weight of 241.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 134531950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).