[1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C64H73F12NO25 — CID 155179925

About [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

[1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 155179925) has the molecular formula C64H73F12NO25 and a molecular weight of 1484.25 g/mol. Its IUPAC name is [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 155179925
• Molecular Formula: C64H73F12NO25
• Molecular Weight: 1484.25 g/mol
• Exact Mass: 1483.43
• IUPAC Name: [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
• SMILES: O=C(CCOCC(COCCC(=O)Oc1c(F)c(F)cc(F)c1F)(COC(=O)Oc1c(F)c(F)cc(F)c1F)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O)Oc1c(F)c(F)cc(F)c1F
• InChI: InChI=1S/C64H73F12NO25/c65-43-35-44(66)53(72)58(52(43)71)99-49(78)5-10-96-38-64(40-98-63(83)101-60-56(75)47(69)37-48(70)57(60)76,39-97-11-6-50(79)100-59-54(73)45(67)36-46(68)55(59)74)102-51(80)7-9-84-13-15-86-17-19-88-21-23-90-25-27-92-29-31-94-33-34-95-32-30-93-28-26-91-24-22-89-20-18-87-16-14-85-12-8-77-61(81)41-3-1-2-4-42(41)62(77)82/h1-4,35-37H,5-34,38-40H2
• InChIKey: VXGUSJWHMOKAEV-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 281.03 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 55
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.25
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 155179925) is [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is O=C(CCOCC(COCCC(=O)Oc1c(F)c(F)cc(F)c1F)(COC(=O)Oc1c(F)c(F)cc(F)c1F)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN1C(=O)c2ccccc2C1=O)Oc1c(F)c(F)cc(F)c1F.

What is the InChIKey of [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is VXGUSJWHMOKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H73F12NO25/c65-43-35-44(66)53(72)58(52(43)71)99-49(78)5-10-96-38-64(40-98-63(83)101-60-56(75)47(69)37-48(70)57(60)76,39-97-11-6-50(79)100-59-54(73)45(67)36-46(68)55(59)74)102-51(80)7-9-84-13-15-86-17-19-88-21-23-90-25-27-92-29-31-94-33-34-95-32-30-93-28-26-91-24-22-89-20-18-87-16-14-85-12-8-77-61(81)41-3-1-2-4-42(41)62(77)82/h1-4,35-37H,5-34,38-40H2.

What are the key properties of [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?

[1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1484.25 g/mol, XLogP of 7.06, 55 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]-2-[[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]methyl]-3-(2,3,5,6-tetrafluorophenoxy)carbonyloxypropan-2-yl] 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 155179925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).