1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine

C44H82F14N6O9 — CID 162254944

About 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine

1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine (PubChem CID 162254944) has the molecular formula C44H82F14N6O9 and a molecular weight of 1105.14 g/mol. Its IUPAC name is 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine.

Molecular Properties

• Compound Name: 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine
• PubChem CID: 162254944
• Molecular Formula: C44H82F14N6O9
• Molecular Weight: 1105.14 g/mol
• Exact Mass: 1104.59
• IUPAC Name: 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine
• SMILES: CCOC(F)(F)N1CCCC1.CCOC(F)(F)N1CCCCC1.CCOC(F)(F)N1CCOCC1.COC(C)(F)F.COC(F)(F)N1CCCC1.COC(F)(F)N1CCCCC1.COC(F)(F)N1CCOCC1
• InChI: InChI=1S/C8H15F2NO.C7H13F2NO2.2C7H13F2NO.C6H11F2NO2.C6H11F2NO.C3H6F2O/c1-2-12-8(9,10)11-6-4-3-5-7-11;1-2-12-7(8,9)10-3-5-11-6-4-10;1-11-7(8,9)10-5-3-2-4-6-10;1-2-11-7(8,9)10-5-3-4-6-10;1-10-6(7,8)9-2-4-11-5-3-9;1-10-6(7,8)9-4-2-3-5-9;1-3(4,5)6-2/h2-7H2,1H3;2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;1-2H3
• InChIKey: ZYLXDEQBGBMVIE-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 102.51 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1105.14
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine?

The IUPAC name of 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine (CID 162254944) is 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine.

What is the SMILES notation for 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine?

The canonical SMILES for 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine is CCOC(F)(F)N1CCCC1.CCOC(F)(F)N1CCCCC1.CCOC(F)(F)N1CCOCC1.COC(C)(F)F.COC(F)(F)N1CCCC1.COC(F)(F)N1CCCCC1.COC(F)(F)N1CCOCC1.

What is the InChIKey of 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine?

The InChIKey is ZYLXDEQBGBMVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO.C7H13F2NO2.2C7H13F2NO.C6H11F2NO2.C6H11F2NO.C3H6F2O/c1-2-12-8(9,10)11-6-4-3-5-7-11;1-2-12-7(8,9)10-3-5-11-6-4-10;1-11-7(8,9)10-5-3-2-4-6-10;1-2-11-7(8,9)10-5-3-4-6-10;1-10-6(7,8)9-2-4-11-5-3-9;1-10-6(7,8)9-4-2-3-5-9;1-3(4,5)6-2/h2-7H2,1H3;2-6H2,1H3;2*2-6H2,1H3;2-5H2,1H3;2-5H2,1H3;1-2H3.

What are the key properties of 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine?

1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine has a molecular weight of 1105.14 g/mol, XLogP of 9.34, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-1-methoxyethane;4-[difluoro(methoxy)methyl]morpholine;1-[difluoro(methoxy)methyl]piperidine;1-[difluoro(methoxy)methyl]pyrrolidine;4-[ethoxy(difluoro)methyl]morpholine;1-[ethoxy(difluoro)methyl]piperidine;1-[ethoxy(difluoro)methyl]pyrrolidine is sourced from PubChem (CID 162254944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).