3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate

C89H132F24O23 — CID 167538427

About 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate

3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate (PubChem CID 167538427) has the molecular formula C89H132F24O23 and a molecular weight of 2025.96 g/mol. Its IUPAC name is 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate
• PubChem CID: 167538427
• Molecular Formula: C89H132F24O23
• Molecular Weight: 2025.96 g/mol
• Exact Mass: 2024.88
• IUPAC Name: 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(C(C)C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)(CC)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CC2CCC1C2.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCC1.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCCC1.C=CC(=O)OC(C)(C)C(C)(O)C(F)(F)F.C=COC(C)(C)C(C)(O)C(F)(F)F
• InChI: InChI=1S/C14H19F3O3.C13H19F3O3.C12H17F3O3.C12H19F3O3.C11H17F3O3.C10H15F3O3.C9H13F3O3.C8H13F3O2/c1-8(2)11(18)20-13(12(3,19)14(15,16)17)7-9-4-5-10(13)6-9;1-9(2)10(17)19-12(7-5-4-6-8-12)11(3,18)13(14,15)16;1-8(2)9(16)18-11(6-4-5-7-11)10(3,17)12(13,14)15;1-6-11(7-2,18-9(16)8(3)4)10(5,17)12(13,14)15;1-6(2)8(17-9(15)7(3)4)10(5,16)11(12,13)14;1-5-7(16-8(14)6(2)3)9(4,15)10(11,12)13;1-5-6(13)15-7(2,3)8(4,14)9(10,11)12;1-5-13-6(2,3)7(4,12)8(9,10)11/h9-10,19H,1,4-7H2,2-3H3;18H,1,4-8H2,2-3H3;17H,1,4-7H2,2-3H3;17H,3,6-7H2,1-2,4-5H3;6,8,16H,3H2,1-2,4-5H3;7,15H,2,5H2,1,3-4H3;5,14H,1H2,2-4H3;5,12H,1H2,2-4H3
• InChIKey: AVXHLAZMIRTMBT-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 355.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2025.96
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate?

The IUPAC name of 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate (CID 167538427) is 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate.

What is the SMILES notation for 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate?

The canonical SMILES for 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C(C)C)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)(CC)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC(CC)C(C)(O)C(F)(F)F.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CC2CCC1C2.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCC1.C=C(C)C(=O)OC1(C(C)(O)C(F)(F)F)CCCCC1.C=CC(=O)OC(C)(C)C(C)(O)C(F)(F)F.C=COC(C)(C)C(C)(O)C(F)(F)F.

What is the InChIKey of 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate?

The InChIKey is AVXHLAZMIRTMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3.C13H19F3O3.C12H17F3O3.C12H19F3O3.C11H17F3O3.C10H15F3O3.C9H13F3O3.C8H13F3O2/c1-8(2)11(18)20-13(12(3,19)14(15,16)17)7-9-4-5-10(13)6-9;1-9(2)10(17)19-12(7-5-4-6-8-12)11(3,18)13(14,15)16;1-8(2)9(16)18-11(6-4-5-7-11)10(3,17)12(13,14)15;1-6-11(7-2,18-9(16)8(3)4)10(5,17)12(13,14)15;1-6(2)8(17-9(15)7(3)4)10(5,16)11(12,13)14;1-5-7(16-8(14)6(2)3)9(4,15)10(11,12)13;1-5-6(13)15-7(2,3)8(4,14)9(10,11)12;1-5-13-6(2,3)7(4,12)8(9,10)11/h9-10,19H,1,4-7H2,2-3H3;18H,1,4-8H2,2-3H3;17H,1,4-7H2,2-3H3;17H,3,6-7H2,1-2,4-5H3;6,8,16H,3H2,1-2,4-5H3;7,15H,2,5H2,1,3-4H3;5,14H,1H2,2-4H3;5,12H,1H2,2-4H3.

What are the key properties of 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate?

3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate has a molecular weight of 2025.96 g/mol, XLogP of 20.50, 28 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethenoxy-1,1,1-trifluoro-2,3-dimethylbutan-2-ol;(3-ethyl-1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;(4,4,4-trifluoro-3-hydroxy-2,3-dimethylbutan-2-yl) prop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2,4-dimethylpentan-3-yl) 2-methylprop-2-enoate;(1,1,1-trifluoro-2-hydroxy-2-methylpentan-3-yl) 2-methylprop-2-enoate;[2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[1-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopentyl] 2-methylprop-2-enoate is sourced from PubChem (CID 167538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).