1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol

C35H52F10O17 — CID 170422476

About 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol

1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol (PubChem CID 170422476) has the molecular formula C35H52F10O17 and a molecular weight of 934.76 g/mol. Its IUPAC name is 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol
• PubChem CID: 170422476
• Molecular Formula: C35H52F10O17
• Molecular Weight: 934.76 g/mol
• Exact Mass: 934.30
• IUPAC Name: 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol
• SMILES: C=CCOCC(O)COCC(O)COCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCOCC(F)(F)OC(F)(F)OC(F)(F)COCC(O)COc1ccccc1
• InChI: InChI=1S/C35H52F10O17/c1-2-8-50-13-27(47)16-55-17-28(48)18-56-22-31(36,37)60-32(38,39)24-58-25-54-12-10-52-15-26(46)14-51-9-11-53-21-33(40,41)61-35(44,45)62-34(42,43)23-57-19-29(49)20-59-30-6-4-3-5-7-30/h2-7,26-29,46-49H,1,8-25H2
• InChIKey: AHSUUKIPTPJCMW-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 200.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 41
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.76
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol?

The IUPAC name of 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol (CID 170422476) is 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol.

What is the SMILES notation for 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol?

The canonical SMILES for 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol is C=CCOCC(O)COCC(O)COCC(F)(F)OC(F)(F)COCOCCOCC(O)COCCOCC(F)(F)OC(F)(F)OC(F)(F)COCC(O)COc1ccccc1.

What is the InChIKey of 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol?

The InChIKey is AHSUUKIPTPJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52F10O17/c1-2-8-50-13-27(47)16-55-17-28(48)18-56-22-31(36,37)60-32(38,39)24-58-25-54-12-10-52-15-26(46)14-51-9-11-53-21-33(40,41)61-35(44,45)62-34(42,43)23-57-19-29(49)20-59-30-6-4-3-5-7-30/h2-7,26-29,46-49H,1,8-25H2.

What are the key properties of 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol?

1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol has a molecular weight of 934.76 g/mol, XLogP of 2.77, 41 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[2-[1,1-difluoro-2-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]ethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-[2-[2-[[1,1-difluoro-2-(2-hydroxy-3-phenoxypropoxy)ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]ethoxy]propan-2-ol is sourced from PubChem (CID 170422476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).