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

C18H32F4O10 — CID 160969019

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

1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol (PubChem CID 160969019) has the molecular formula C18H32F4O10 and a molecular weight of 484.44 g/mol. Its IUPAC name is 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol
• PubChem CID: 160969019
• Molecular Formula: C18H32F4O10
• Molecular Weight: 484.44 g/mol
• Exact Mass: 484.19
• IUPAC Name: 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol
• SMILES: C=CCOCC(F)(F)OC(F)(F)COCOCCOCC(O)COCC(O)COCCO
• InChI: InChI=1S/C18H32F4O10/c1-2-4-28-12-17(19,20)32-18(21,22)13-31-14-29-7-6-27-9-16(25)11-30-10-15(24)8-26-5-3-23/h2,15-16,23-25H,1,3-14H2
• InChIKey: SXZYVPGTBOEWKD-UHFFFAOYSA-N
• XLogP: 0.15
• TPSA: 125.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.44
LogP ≤ 5	0.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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

The IUPAC name of 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol (CID 160969019) is 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol.

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

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

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

The InChIKey is SXZYVPGTBOEWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F4O10/c1-2-4-28-12-17(19,20)32-18(21,22)13-31-14-29-7-6-27-9-16(25)11-30-10-15(24)8-26-5-3-23/h2,15-16,23-25H,1,3-14H2.

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

1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol has a molecular weight of 484.44 g/mol, XLogP of 0.15, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]-3-(2-hydroxyethoxy)propan-2-ol is sourced from PubChem (CID 160969019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).