[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate

C26H16F26O9 — CID 58122144

About [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate

[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate (PubChem CID 58122144) has the molecular formula C26H16F26O9 and a molecular weight of 966.35 g/mol. Its IUPAC name is [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate.

Molecular Properties

• Compound Name: [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate
• PubChem CID: 58122144
• Molecular Formula: C26H16F26O9
• Molecular Weight: 966.35 g/mol
• Exact Mass: 966.04
• IUPAC Name: [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate
• SMILES: C=C(C(=O)OCC(OC(F)(F)C(C)(C(F)(F)OC(F)(COC(=O)C(=C)C(F)(F)F)C(F)(F)F)C(F)(F)OC(F)(COC(=O)C(=C)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C26H16F26O9/c1-8(18(29,30)31)12(53)56-5-11(21(38,39)40)59-24(47,48)15(4,25(49,50)60-16(27,22(41,42)43)6-57-13(54)9(2)19(32,33)34)26(51,52)61-17(28,23(44,45)46)7-58-14(55)10(3)20(35,36)37/h11H,1-3,5-7H2,4H3
• InChIKey: PHSJKHVJVFWICM-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 106.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.35
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate?

The IUPAC name of [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate (CID 58122144) is [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate.

What is the SMILES notation for [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate?

The canonical SMILES for [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate is C=C(C(=O)OCC(OC(F)(F)C(C)(C(F)(F)OC(F)(COC(=O)C(=C)C(F)(F)F)C(F)(F)F)C(F)(F)OC(F)(COC(=O)C(=C)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate?

The InChIKey is PHSJKHVJVFWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F26O9/c1-8(18(29,30)31)12(53)56-5-11(21(38,39)40)59-24(47,48)15(4,25(49,50)60-16(27,22(41,42)43)6-57-13(54)9(2)19(32,33)34)26(51,52)61-17(28,23(44,45)46)7-58-14(55)10(3)20(35,36)37/h11H,1-3,5-7H2,4H3.

What are the key properties of [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate?

[2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate has a molecular weight of 966.35 g/mol, XLogP of 9.19, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[difluoro-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxymethyl]-1,1,3,3-tetrafluoro-2-methyl-3-[1,1,1,2-tetrafluoro-3-[2-(trifluoromethyl)prop-2-enoyloxy]propan-2-yl]oxypropoxy]-3,3,3-trifluoropropyl] 2-(trifluoromethyl)prop-2-enoate is sourced from PubChem (CID 58122144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).