1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol

C37H48F28O19 — CID 169009122

About 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol

1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol (PubChem CID 169009122) has the molecular formula C37H48F28O19 and a molecular weight of 1328.72 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol
• PubChem CID: 169009122
• Molecular Formula: C37H48F28O19
• Molecular Weight: 1328.72 g/mol
• Exact Mass: 1328.23
• IUPAC Name: 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol
• SMILES: OCCOCC(O)COCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)COCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)COCC(O)COCC(O)COCCO
• InChI: InChI=1S/C37H48F28O19/c38-24(39,15-77-11-21(70)9-75-7-19(68)5-73-3-1-66)30(50,51)81-34(58,59)28(46,47)36(62,63)83-32(54,55)26(42,43)17-79-13-23(72)14-80-18-27(44,45)33(56,57)84-37(64,65)29(48,49)35(60,61)82-31(52,53)25(40,41)16-78-12-22(71)10-76-8-20(69)6-74-4-2-67/h19-23,66-72H,1-18H2
• InChIKey: WUHJENIRQKHZBA-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 252.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 48
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1328.72
LogP ≤ 5	4.53
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol?

The IUPAC name of 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol (CID 169009122) is 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol.

What is the SMILES notation for 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol?

The canonical SMILES for 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol is OCCOCC(O)COCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)COCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)COCC(O)COCC(O)COCCO.

What is the InChIKey of 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol?

The InChIKey is WUHJENIRQKHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48F28O19/c38-24(39,15-77-11-21(70)9-75-7-19(68)5-73-3-1-66)30(50,51)81-34(58,59)28(46,47)36(62,63)83-32(54,55)26(42,43)17-79-13-23(72)14-80-18-27(44,45)33(56,57)84-37(64,65)29(48,49)35(60,61)82-31(52,53)25(40,41)16-78-12-22(71)10-76-8-20(69)6-74-4-2-67/h19-23,66-72H,1-18H2.

What are the key properties of 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol?

1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol has a molecular weight of 1328.72 g/mol, XLogP of 4.53, 48 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-hydroxyethoxy)-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2,2,3,3-tetrafluoro-3-[1,1,2,2,3,3-hexafluoro-3-[1,1,2,2-tetrafluoro-3-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-2-ol is sourced from PubChem (CID 169009122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).