2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate

C57H59F39O20 — CID 158490480

About 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate

2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 158490480) has the molecular formula C57H59F39O20 and a molecular weight of 1805.00 g/mol. Its IUPAC name is 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate
• PubChem CID: 158490480
• Molecular Formula: C57H59F39O20
• Molecular Weight: 1805.00 g/mol
• Exact Mass: 1804.30
• IUPAC Name: 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(=O)OCCOCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F.C=C(C)C(=O)OCCOC(=O)COCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F.C=C(C)C(=O)OCCOCCOCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F
• InChI: InChI=1S/2C19H19F13O7.C19H21F13O6/c1-9(2)12(34)38-5-4-37-11(33)8-36-7-10(39-13(35)14(3,20)21)6-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32;1-9(2)12(34)38-8-11(33)37-5-4-36-7-10(39-13(35)14(3,20)21)6-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32;1-10(2)12(33)37-7-6-35-4-5-36-9-11(38-13(34)14(3,20)21)8-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32/h2*10H,1,4-8H2,2-3H3;11H,1,4-9H2,2-3H3
• InChIKey: HIQBQRUAHSRKDO-UHFFFAOYSA-N
• XLogP: 14.65
• TPSA: 247.32 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 43
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.00
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate?

The IUPAC name of 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate (CID 158490480) is 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate.

What is the SMILES notation for 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate?

The canonical SMILES for 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OCCOCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F.C=C(C)C(=O)OCCOC(=O)COCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F.C=C(C)C(=O)OCCOCCOCC(CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OC(=O)C(C)(F)F.

What is the InChIKey of 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate?

The InChIKey is HIQBQRUAHSRKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H19F13O7.C19H21F13O6/c1-9(2)12(34)38-5-4-37-11(33)8-36-7-10(39-13(35)14(3,20)21)6-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32;1-9(2)12(34)38-8-11(33)37-5-4-36-7-10(39-13(35)14(3,20)21)6-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32;1-10(2)12(33)37-7-6-35-4-5-36-9-11(38-13(34)14(3,20)21)8-15(22,23)17(25,26)16(24,18(27,28)29)19(30,31)32/h2*10H,1,4-8H2,2-3H3;11H,1,4-9H2,2-3H3.

What are the key properties of 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate?

2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 1805.00 g/mol, XLogP of 14.65, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]acetyl]oxyethyl 2-methylprop-2-enoate;2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]ethyl 2-methylprop-2-enoate;[2-[2-[2-(2,2-difluoropropanoyloxy)-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptoxy]ethoxy]-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 158490480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).