2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

C28H28F24O6 — CID 158085700

About 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene

2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene (PubChem CID 158085700) has the molecular formula C28H28F24O6 and a molecular weight of 916.48 g/mol. Its IUPAC name is 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene.

Molecular Properties

• Compound Name: 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
• PubChem CID: 158085700
• Molecular Formula: C28H28F24O6
• Molecular Weight: 916.48 g/mol
• Exact Mass: 916.15
• IUPAC Name: 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene
• SMILES: C=C(C(=O)OC(C1CC(OC(C)OCC)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C=C(C(F)(F)F)C(F)(F)F.C=COCC(F)(F)F
• InChI: InChI=1S/C20H21F15O5.C4H2F6.C4H5F3O/c1-4-38-9(3)39-12-6-10(14(37,17(24,25)26)18(27,28)29)5-11(7-12)15(19(30,31)32,20(33,34)35)40-13(36)8(2)16(21,22)23;1-2(3(5,6)7)4(8,9)10;1-2-8-3-4(5,6)7/h9-12,37H,2,4-7H2,1,3H3;1H2;2H,1,3H2
• InChIKey: FNMHLROJJDJLTE-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 74.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.48
LogP ≤ 5	10.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?

The IUPAC name of 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene (CID 158085700) is 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene.

What is the SMILES notation for 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?

The canonical SMILES for 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene is C=C(C(=O)OC(C1CC(OC(C)OCC)CC(C(O)(C(F)(F)F)C(F)(F)F)C1)(C(F)(F)F)C(F)(F)F)C(F)(F)F.C=C(C(F)(F)F)C(F)(F)F.C=COCC(F)(F)F.

What is the InChIKey of 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?

The InChIKey is FNMHLROJJDJLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F15O5.C4H2F6.C4H5F3O/c1-4-38-9(3)39-12-6-10(14(37,17(24,25)26)18(27,28)29)5-11(7-12)15(19(30,31)32,20(33,34)35)40-13(36)8(2)16(21,22)23;1-2(3(5,6)7)4(8,9)10;1-2-8-3-4(5,6)7/h9-12,37H,2,4-7H2,1,3H3;1H2;2H,1,3H2.

What are the key properties of 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene?

2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene has a molecular weight of 916.48 g/mol, XLogP of 10.93, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethenoxy-1,1,1-trifluoroethane;[2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] 2-(trifluoromethyl)prop-2-enoate;3,3,3-trifluoro-2-(trifluoromethyl)prop-1-ene is sourced from PubChem (CID 158085700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).