1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

C23H24F2N2O — CID 169225364

IUPAC1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC1(F)CC=Cc2cccc(C3CCN4CCCC34COc3ccccn3)c21
InChIInChI=1S/C23H24F2N2O/c24-23(25)12-4-7-17-6-3-8-18(21(17)23)19-10-15-27-14-5-11-22(19,27)16-28-20-9-1-2-13-26-20/h1-4,6-9,13,19H,5,10-12,14-16H2
InChIKeyMAGZOWKGIUJOTE-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.99
Rot. Bonds4

About 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine

1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 169225364) has the molecular formula C23H24F2N2O and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID169225364
Molecular FormulaC23H24F2N2O
Molecular Weight382.45 g/mol
Exact Mass382.19
IUPAC Name1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
SMILESFC1(F)CC=Cc2cccc(C3CCN4CCCC34COc3ccccn3)c21
InChIInChI=1S/C23H24F2N2O/c24-23(25)12-4-7-17-6-3-8-18(21(17)23)19-10-15-27-14-5-11-22(19,27)16-28-20-9-1-2-13-26-20/h1-4,6-9,13,19H,5,10-12,14-16H2
InChIKeyMAGZOWKGIUJOTE-UHFFFAOYSA-N
XLogP4.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine (CID 169225364) is 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is FC1(F)CC=Cc2cccc(C3CCN4CCCC34COc3ccccn3)c21.
What is the InChIKey of 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is MAGZOWKGIUJOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O/c24-23(25)12-4-7-17-6-3-8-18(21(17)23)19-10-15-27-14-5-11-22(19,27)16-28-20-9-1-2-13-26-20/h1-4,6-9,13,19H,5,10-12,14-16H2.
What are the key properties of 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine?
1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 382.45 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8,8-difluoro-7H-naphthalen-1-yl)-8-(pyridin-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 169225364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).