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

C23H51F2NO3 — CID 142365193

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

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (PubChem CID 142365193) has the molecular formula C23H51F2NO3 and a molecular weight of 427.66 g/mol. Its IUPAC name is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.

Molecular Properties

• Compound Name: 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
• PubChem CID: 142365193
• Molecular Formula: C23H51F2NO3
• Molecular Weight: 427.66 g/mol
• Exact Mass: 427.38
• IUPAC Name: 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane
• SMILES: CC.CC.CC.CC.CC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1
• InChI: InChI=1S/C15H27F2NO3.4C2H6/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14;4*1-2/h12-14H,3-11H2,1-2H3;4*1-2H3
• InChIKey: LSXCAVFDFKWKSC-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.66
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane (CID 142365193) is 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane.

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

The canonical SMILES for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane is CC.CC.CC.CC.CC1CC(OCC(F)(F)COCCCOC2CN(C)C2)C1.

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

The InChIKey is LSXCAVFDFKWKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO3.4C2H6/c1-12-6-13(7-12)21-11-15(16,17)10-19-4-3-5-20-14-8-18(2)9-14;4*1-2/h12-14H,3-11H2,1-2H3;4*1-2H3.

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

3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane has a molecular weight of 427.66 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,2-difluoro-3-(3-methylcyclobutyl)oxypropoxy]propoxy]-1-methylazetidine;ethane is sourced from PubChem (CID 142365193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).