1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol

C35H62F12O19 — CID 167632327

About 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol

1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol (PubChem CID 167632327) has the molecular formula C35H62F12O19 and a molecular weight of 1014.84 g/mol. Its IUPAC name is 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol.

Molecular Properties

• Compound Name: 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol
• PubChem CID: 167632327
• Molecular Formula: C35H62F12O19
• Molecular Weight: 1014.84 g/mol
• Exact Mass: 1014.37
• IUPAC Name: 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol
• SMILES: OCCCCCCCC(O)COCC(F)(F)OC(F)(F)OC(F)(F)COCCOCC(O)COCCO.OCCOCCOCC(F)(F)OC(F)(F)OC(F)(F)COCC(O)COCCO
• InChI: InChI=1S/C21H38F6O10.C14H24F6O9/c22-19(23,15-34-11-10-33-14-18(31)13-32-9-8-29)36-21(26,27)37-20(24,25)16-35-12-17(30)6-4-2-1-3-5-7-28;15-12(16,9-26-6-5-24-3-1-21)28-14(19,20)29-13(17,18)10-27-8-11(23)7-25-4-2-22/h17-18,28-31H,1-16H2;11,21-23H,1-10H2
• InChIKey: NZEVTTRGMMYGGM-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 252.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 45
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1014.84
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol?

The IUPAC name of 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol (CID 167632327) is 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol.

What is the SMILES notation for 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol?

The canonical SMILES for 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol is OCCCCCCCC(O)COCC(F)(F)OC(F)(F)OC(F)(F)COCCOCC(O)COCCO.OCCOCCOCC(F)(F)OC(F)(F)OC(F)(F)COCC(O)COCCO.

What is the InChIKey of 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol?

The InChIKey is NZEVTTRGMMYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38F6O10.C14H24F6O9/c22-19(23,15-34-11-10-33-14-18(31)13-32-9-8-29)36-21(26,27)37-20(24,25)16-35-12-17(30)6-4-2-1-3-5-7-28;15-12(16,9-26-6-5-24-3-1-21)28-14(19,20)29-13(17,18)10-27-8-11(23)7-25-4-2-22/h17-18,28-31H,1-16H2;11,21-23H,1-10H2.

What are the key properties of 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol?

1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol has a molecular weight of 1014.84 g/mol, XLogP of 2.04, 45 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[1,1-difluoro-2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]-3-(2-hydroxyethoxy)propan-2-ol;9-[2-[[1,1-difluoro-2-[2-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]ethoxy]ethoxy]-difluoromethoxy]-2,2-difluoroethoxy]nonane-1,8-diol is sourced from PubChem (CID 167632327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).