1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol

C22H38F8O13 — CID 157172229

About 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol

1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol (PubChem CID 157172229) has the molecular formula C22H38F8O13 and a molecular weight of 662.52 g/mol. Its IUPAC name is 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol
• PubChem CID: 157172229
• Molecular Formula: C22H38F8O13
• Molecular Weight: 662.52 g/mol
• Exact Mass: 662.22
• IUPAC Name: 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol
• SMILES: COCCOCC(F)(F)OC(F)(F)COCC(O)COCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCO
• InChI: InChI=1S/C22H38F8O13/c1-34-4-5-37-12-19(23,24)42-20(25,26)13-39-10-18(33)11-40-14-21(27,28)43-22(29,30)15-41-16-38-7-6-36-9-17(32)8-35-3-2-31/h17-18,31-33H,2-16H2,1H3
• InChIKey: NCGVXNXHCVDZRD-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 152.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.52
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol?

The IUPAC name of 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol (CID 157172229) is 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol.

What is the SMILES notation for 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol?

The canonical SMILES for 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol is COCCOCC(F)(F)OC(F)(F)COCC(O)COCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCO.

What is the InChIKey of 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol?

The InChIKey is NCGVXNXHCVDZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38F8O13/c1-34-4-5-37-12-19(23,24)42-20(25,26)13-39-10-18(33)11-40-14-21(27,28)43-22(29,30)15-41-16-38-7-6-36-9-17(32)8-35-3-2-31/h17-18,31-33H,2-16H2,1H3.

What are the key properties of 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol?

1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol has a molecular weight of 662.52 g/mol, XLogP of 0.82, 30 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol is sourced from PubChem (CID 157172229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).