2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine

C27H45FN2O2 — CID 175614297

About 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine

2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 175614297) has the molecular formula C27H45FN2O2 and a molecular weight of 448.67 g/mol. Its IUPAC name is 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

• Compound Name: 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine
• PubChem CID: 175614297
• Molecular Formula: C27H45FN2O2
• Molecular Weight: 448.67 g/mol
• Exact Mass: 448.35
• IUPAC Name: 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine
• SMILES: CC(CC1CN2CCCC2(C2(OC(C)(C)C)CC2)C1)OC1(C23CCCN2CC(F)C3)CC1
• InChI: InChI=1S/C27H45FN2O2/c1-20(31-26(9-10-26)25-8-6-14-30(25)19-22(28)17-25)15-21-16-24(7-5-13-29(24)18-21)27(11-12-27)32-23(2,3)4/h20-22H,5-19H2,1-4H3
• InChIKey: LYRHWXURIWKSAF-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.67
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine?

The IUPAC name of 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine (CID 175614297) is 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine.

What is the SMILES notation for 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine?

The canonical SMILES for 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine is CC(CC1CN2CCCC2(C2(OC(C)(C)C)CC2)C1)OC1(C23CCCN2CC(F)C3)CC1.

What is the InChIKey of 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine?

The InChIKey is LYRHWXURIWKSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45FN2O2/c1-20(31-26(9-10-26)25-8-6-14-30(25)19-22(28)17-25)15-21-16-24(7-5-13-29(24)18-21)27(11-12-27)32-23(2,3)4/h20-22H,5-19H2,1-4H3.

What are the key properties of 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine?

2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 448.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-8-[1-[1-[8-[1-[(2-methylpropan-2-yl)oxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]propan-2-yloxy]cyclopropyl]-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 175614297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).