1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

C15H13F13O5 — CID 89441104

About 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 89441104) has the molecular formula C15H13F13O5 and a molecular weight of 520.24 g/mol. Its IUPAC name is 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

• Compound Name: 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
• PubChem CID: 89441104
• Molecular Formula: C15H13F13O5
• Molecular Weight: 520.24 g/mol
• Exact Mass: 520.06
• IUPAC Name: 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
• SMILES: C=COC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OC=C
• InChI: InChI=1S/C15H13F13O5/c1-4-30-9(31-5-2)6-29-7-10(17,13(21,22)23)32-15(27,28)12(20,14(24,25)26)33-11(18,19)8(3)16/h4-5,9H,1-3,6-7H2
• InChIKey: VHASKXDISOMRFM-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.24
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The IUPAC name of 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 89441104) is 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.

What is the SMILES notation for 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The canonical SMILES for 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=COC(COCC(F)(OC(F)(F)C(F)(OC(F)(F)C(=C)F)C(F)(F)F)C(F)(F)F)OC=C.

What is the InChIKey of 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The InChIKey is VHASKXDISOMRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F13O5/c1-4-30-9(31-5-2)6-29-7-10(17,13(21,22)23)32-15(27,28)12(20,14(24,25)26)33-11(18,19)8(3)16/h4-5,9H,1-3,6-7H2.

What are the key properties of 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?

1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 520.24 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2,2-bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 89441104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).