2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

C13H13F11O4 — CID 11247709

About 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 11247709) has the molecular formula C13H13F11O4 and a molecular weight of 442.22 g/mol. Its IUPAC name is 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

• Compound Name: 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
• PubChem CID: 11247709
• Molecular Formula: C13H13F11O4
• Molecular Weight: 442.22 g/mol
• Exact Mass: 442.06
• IUPAC Name: 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
• SMILES: C=CCCOC(C)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C13H13F11O4/c1-3-4-5-26-7(2)6-27-8(25)9(14,11(17,18)19)28-13(23,24)10(15,16)12(20,21)22/h3,7H,1,4-6H2,2H3
• InChIKey: HNBWKXLFCSBAFO-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.22
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The IUPAC name of 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 11247709) is 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

What is the SMILES notation for 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The canonical SMILES for 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is C=CCCOC(C)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The InChIKey is HNBWKXLFCSBAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F11O4/c1-3-4-5-26-7(2)6-27-8(25)9(14,11(17,18)19)28-13(23,24)10(15,16)12(20,21)22/h3,7H,1,4-6H2,2H3.

What are the key properties of 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate has a molecular weight of 442.22 g/mol, XLogP of 4.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-but-3-enoxypropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 11247709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).