8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine

C21H37FN2O2 — CID 170140246

IUPAC8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOCC12CCCN1C(CC(C)OCC13CCCN1CC(F)C3)CC2
InChIInChI=1S/C21H37FN2O2/c1-3-25-15-20-7-5-11-24(20)19(6-9-20)12-17(2)26-16-21-8-4-10-23(21)14-18(22)13-21/h17-19H,3-16H2,1-2H3
InChIKeyIQKBSKRJCKXYDU-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.39
Rot. Bonds8

About 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine

8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170140246) has the molecular formula C21H37FN2O2 and a molecular weight of 368.54 g/mol. Its IUPAC name is 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170140246
Molecular FormulaC21H37FN2O2
Molecular Weight368.54 g/mol
Exact Mass368.28
IUPAC Name8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCOCC12CCCN1C(CC(C)OCC13CCCN1CC(F)C3)CC2
InChIInChI=1S/C21H37FN2O2/c1-3-25-15-20-7-5-11-24(20)19(6-9-20)12-17(2)26-16-21-8-4-10-23(21)14-18(22)13-21/h17-19H,3-16H2,1-2H3
InChIKeyIQKBSKRJCKXYDU-UHFFFAOYSA-N
XLogP3.39
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 170140246) is 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine is CCOCC12CCCN1C(CC(C)OCC13CCCN1CC(F)C3)CC2.
What is the InChIKey of 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is IQKBSKRJCKXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37FN2O2/c1-3-25-15-20-7-5-11-24(20)19(6-9-20)12-17(2)26-16-21-8-4-10-23(21)14-18(22)13-21/h17-19H,3-16H2,1-2H3.
What are the key properties of 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine?
8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 368.54 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-3-[2-[(2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methoxy]propyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170140246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).