(E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene

C20H20F18O2 — CID 159153738

About (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene

(E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene (PubChem CID 159153738) has the molecular formula C20H20F18O2 and a molecular weight of 634.34 g/mol. Its IUPAC name is (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene.

Molecular Properties

• Compound Name: (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene
• PubChem CID: 159153738
• Molecular Formula: C20H20F18O2
• Molecular Weight: 634.34 g/mol
• Exact Mass: 634.12
• IUPAC Name: (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene
• SMILES: CC(OCCO/C(=C(\C(C)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F
• InChI: InChI=1S/C20H20F18O2/c1-8(16(24,25)26)10(13(3,21)18(30,31)32)12(17(27,28)29)40-7-6-39-9(2)11(14(4,22)19(33,34)35)15(5,23)20(36,37)38/h8H,6-7H2,1-5H3/b11-9?,12-10+
• InChIKey: KJPYNXXFMNXNGZ-UAMGIFDMSA-N
• XLogP: 9.18
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	634.34
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?

The IUPAC name of (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene (CID 159153738) is (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene.

What is the SMILES notation for (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?

The canonical SMILES for (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene is CC(OCCO/C(=C(\C(C)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F)=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F.

What is the InChIKey of (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?

The InChIKey is KJPYNXXFMNXNGZ-UAMGIFDMSA-N. The full InChI is InChI=1S/C20H20F18O2/c1-8(16(24,25)26)10(13(3,21)18(30,31)32)12(17(27,28)29)40-7-6-39-9(2)11(14(4,22)19(33,34)35)15(5,23)20(36,37)38/h8H,6-7H2,1-5H3/b11-9?,12-10+.

What are the key properties of (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene?

(E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene has a molecular weight of 634.34 g/mol, XLogP of 9.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1,1,1,4,5,5,5-heptafluoro-4-methyl-2-[2-[4,5,5,5-tetrafluoro-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-en-2-yl]oxyethoxy]-3-(1,1,1-trifluoropropan-2-yl)pent-2-ene is sourced from PubChem (CID 159153738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).