2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane

C13H22F4O6 — CID 174192252

About 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane

2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane (PubChem CID 174192252) has the molecular formula C13H22F4O6 and a molecular weight of 350.31 g/mol. Its IUPAC name is 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane.

Molecular Properties

• Compound Name: 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane
• PubChem CID: 174192252
• Molecular Formula: C13H22F4O6
• Molecular Weight: 350.31 g/mol
• Exact Mass: 350.14
• IUPAC Name: 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane
• SMILES: CCCOCC(F)(F)OC(F)(F)COCOCCOCC1CO1
• InChI: InChI=1S/C13H22F4O6/c1-2-3-19-8-12(14,15)23-13(16,17)9-21-10-20-5-4-18-6-11-7-22-11/h11H,2-10H2,1H3
• InChIKey: QUKXLKLIJOZHDP-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 58.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.31
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane?

The IUPAC name of 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane (CID 174192252) is 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane.

What is the SMILES notation for 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane?

The canonical SMILES for 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane is CCCOCC(F)(F)OC(F)(F)COCOCCOCC1CO1.

What is the InChIKey of 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane?

The InChIKey is QUKXLKLIJOZHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4O6/c1-2-3-19-8-12(14,15)23-13(16,17)9-21-10-20-5-4-18-6-11-7-22-11/h11H,2-10H2,1H3.

What are the key properties of 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane?

2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane has a molecular weight of 350.31 g/mol, XLogP of 2.02, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxymethyl]oxirane is sourced from PubChem (CID 174192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).