[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate

C123H131F33O23 — CID 161434794

About [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate

[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate (PubChem CID 161434794) has the molecular formula C123H131F33O23 and a molecular weight of 2604.31 g/mol. Its IUPAC name is [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate
• PubChem CID: 161434794
• Molecular Formula: C123H131F33O23
• Molecular Weight: 2604.31 g/mol
• Exact Mass: 2602.86
• IUPAC Name: [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(O)C(C(C)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)c(C(C)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)C(=O)Oc1ccc2ccccc2c1.C=Cc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=Cc1ccc(C(C)(O)C(F)(F)F)cc1.C=Cc1ccc2cc(C)ccc2c1.CO
• InChI: InChI=1S/C16H22F6O4.C16H16F6O4.C14H18F6O3.C14H12F6O3.C14H14F6O2.C14H12O2.C13H12.C11H11F3O.C10H10O3.CH4O/c2*1-8(2)12(23)26-11-6-9(13(3,24)15(17,18)19)5-10(7-11)14(4,25)16(20,21)22;2*1-7(2)11(22)23-8-4-5-10(21)9(6-8)12(3,13(15,16)17)14(18,19)20;1-4-8-5-9(11(2,21)13(15,16)17)7-10(6-8)12(3,22)14(18,19)20;1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-3-8-4-6-9(7-5-8)10(2,15)11(12,13)14;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2/h9-11,24-25H,1,5-7H2,2-4H3;5-7,24-25H,1H2,2-4H3;8-10,21H,1,4-6H2,2-3H3;4-6,21H,1H2,2-3H3;4-7,21-22H,1H2,2-3H3;3-9H,1H2,2H3;3-9H,1H2,2H3;3-7,15H,1H2,2H3;3-6,11H,1H2,2H3;2H,1H3
• InChIKey: VYMQWSABWQJZMV-UHFFFAOYSA-N
• XLogP: 30.81
• TPSA: 380.33 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2604.31
LogP ≤ 5	30.81
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate?

The IUPAC name of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate (CID 161434794) is [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate.

What is the SMILES notation for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate?

The canonical SMILES for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(C)(O)C(F)(F)F)C1.C=C(C)C(=O)OC1CCC(O)C(C(C)(C(F)(F)F)C(F)(F)F)C1.C=C(C)C(=O)Oc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)c(C(C)(C(F)(F)F)C(F)(F)F)c1.C=C(C)C(=O)Oc1ccc(O)cc1.C=C(C)C(=O)Oc1ccc2ccccc2c1.C=Cc1cc(C(C)(O)C(F)(F)F)cc(C(C)(O)C(F)(F)F)c1.C=Cc1ccc(C(C)(O)C(F)(F)F)cc1.C=Cc1ccc2cc(C)ccc2c1.CO.

What is the InChIKey of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate?

The InChIKey is VYMQWSABWQJZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F6O4.C16H16F6O4.C14H18F6O3.C14H12F6O3.C14H14F6O2.C14H12O2.C13H12.C11H11F3O.C10H10O3.CH4O/c2*1-8(2)12(23)26-11-6-9(13(3,24)15(17,18)19)5-10(7-11)14(4,25)16(20,21)22;2*1-7(2)11(22)23-8-4-5-10(21)9(6-8)12(3,13(15,16)17)14(18,19)20;1-4-8-5-9(11(2,21)13(15,16)17)7-10(6-8)12(3,22)14(18,19)20;1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13;1-3-11-5-7-12-8-10(2)4-6-13(12)9-11;1-3-8-4-6-9(7-5-8)10(2,15)11(12,13)14;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-2/h9-11,24-25H,1,5-7H2,2-4H3;5-7,24-25H,1H2,2-4H3;8-10,21H,1,4-6H2,2-3H3;4-6,21H,1H2,2-3H3;4-7,21-22H,1H2,2-3H3;3-9H,1H2,2H3;3-9H,1H2,2H3;3-7,15H,1H2,2H3;3-6,11H,1H2,2H3;2H,1H3.

What are the key properties of [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate?

[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate has a molecular weight of 2604.31 g/mol, XLogP of 30.81, 24 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2-methylprop-2-enoate;[3,5-bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate;2-ethenyl-6-methylnaphthalene;2-(4-ethenylphenyl)-1,1,1-trifluoropropan-2-ol;2-[3-ethenyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1-trifluoropropan-2-ol;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxycyclohexyl] 2-methylprop-2-enoate;[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-hydroxyphenyl] 2-methylprop-2-enoate;(4-hydroxyphenyl) 2-methylprop-2-enoate;methanol;naphthalen-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 161434794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).