2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene

C30H29F27O2 — CID 54128740

About 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene

2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene (PubChem CID 54128740) has the molecular formula C30H29F27O2 and a molecular weight of 934.51 g/mol. Its IUPAC name is 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene.

Molecular Properties

• Compound Name: 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene
• PubChem CID: 54128740
• Molecular Formula: C30H29F27O2
• Molecular Weight: 934.51 g/mol
• Exact Mass: 934.17
• IUPAC Name: 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene
• SMILES: CC(C)(F)C(=C(CC(COC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)OC(=C(C(C)(C)F)C(C)(C)F)C(F)(F)F)C(F)(F)F)C(C)(C)F
• InChI: InChI=1S/C30H29F27O2/c1-18(2,31)13(19(3,4)32)12(24(37,38)39)9-11(59-17(26(43,44)45)14(20(5,6)33)21(7,8)34)10-58-16(25(40,41)42)15(22(35,27(46,47)48)28(49,50)51)23(36,29(52,53)54)30(55,56)57/h11H,9-10H2,1-8H3
• InChIKey: NSUMNSCJEUTAHP-UHFFFAOYSA-N
• XLogP: 13.93
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	934.51
LogP ≤ 5	13.93
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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene?

The IUPAC name of 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene (CID 54128740) is 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene.

What is the SMILES notation for 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene?

The canonical SMILES for 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene is CC(C)(F)C(=C(CC(COC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)OC(=C(C(C)(C)F)C(C)(C)F)C(F)(F)F)C(F)(F)F)C(C)(C)F.

What is the InChIKey of 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene?

The InChIKey is NSUMNSCJEUTAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F27O2/c1-18(2,31)13(19(3,4)32)12(24(37,38)39)9-11(59-17(26(43,44)45)14(20(5,6)33)21(7,8)34)10-58-16(25(40,41)42)15(22(35,27(46,47)48)28(49,50)51)23(36,29(52,53)54)30(55,56)57/h11H,9-10H2,1-8H3.

What are the key properties of 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene?

2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene has a molecular weight of 934.51 g/mol, XLogP of 13.93, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-(2-fluoropropan-2-yl)-7-[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy-2-methyl-6-[1,1,1,4-tetrafluoro-3-(2-fluoropropan-2-yl)-4-methylpent-2-en-2-yl]oxy-4-(trifluoromethyl)hept-3-ene is sourced from PubChem (CID 54128740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).