1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol

C14H10F18O4 — CID 165164937

About 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol

1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol (PubChem CID 165164937) has the molecular formula C14H10F18O4 and a molecular weight of 584.19 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol.

Molecular Properties

• Compound Name: 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol
• PubChem CID: 165164937
• Molecular Formula: C14H10F18O4
• Molecular Weight: 584.19 g/mol
• Exact Mass: 584.03
• IUPAC Name: 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol
• SMILES: C=CCCC(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)OC(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C14H10F18O4/c1-2-3-4-5(33)7(16,10(21,22)23)35-12(27,28)9(20,11(24,25)26)36-14(31,32)13(29,30)34-6(15)8(17,18)19/h2,5-6,33H,1,3-4H2
• InChIKey: QTFQIJBNLZXPBP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.19
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol?

The IUPAC name of 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol (CID 165164937) is 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol.

What is the SMILES notation for 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol?

The canonical SMILES for 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol is C=CCCC(O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)OC(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol?

The InChIKey is QTFQIJBNLZXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F18O4/c1-2-3-4-5(33)7(16,10(21,22)23)35-12(27,28)9(20,11(24,25)26)36-14(31,32)13(29,30)34-6(15)8(17,18)19/h2,5-6,33H,1,3-4H2.

What are the key properties of 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol?

1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol has a molecular weight of 584.19 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethoxy]propoxy]hept-6-en-3-ol is sourced from PubChem (CID 165164937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).