3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane

C23H51F2NO4 — CID 142365639

About 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane

3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (PubChem CID 142365639) has the molecular formula C23H51F2NO4 and a molecular weight of 443.66 g/mol. Its IUPAC name is 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.

Molecular Properties

• Compound Name: 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
• PubChem CID: 142365639
• Molecular Formula: C23H51F2NO4
• Molecular Weight: 443.66 g/mol
• Exact Mass: 443.38
• IUPAC Name: 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
• SMILES: CC.CC.CC.CC.COC1CC(OCCCOCC(F)(F)COC2CN(C)C2)C1
• InChI: InChI=1S/C15H27F2NO4.4C2H6/c1-18-8-14(9-18)22-11-15(16,17)10-20-4-3-5-21-13-6-12(7-13)19-2;4*1-2/h12-14H,3-11H2,1-2H3;4*1-2H3
• InChIKey: SQXYVXFEGZWDDZ-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 40.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.66
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?

The IUPAC name of 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (CID 142365639) is 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.

What is the SMILES notation for 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?

The canonical SMILES for 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane is CC.CC.CC.CC.COC1CC(OCCCOCC(F)(F)COC2CN(C)C2)C1.

What is the InChIKey of 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?

The InChIKey is SQXYVXFEGZWDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO4.4C2H6/c1-18-8-14(9-18)22-11-15(16,17)10-20-4-3-5-21-13-6-12(7-13)19-2;4*1-2/h12-14H,3-11H2,1-2H3;4*1-2H3.

What are the key properties of 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane?

3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane has a molecular weight of 443.66 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,2-difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane is sourced from PubChem (CID 142365639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).