(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate

C106H119F27O37S7 — CID 158215986

About (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate

(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate (PubChem CID 158215986) has the molecular formula C106H119F27O37S7 and a molecular weight of 2722.50 g/mol. Its IUPAC name is (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate.

Molecular Properties

• Compound Name: (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate
• PubChem CID: 158215986
• Molecular Formula: C106H119F27O37S7
• Molecular Weight: 2722.50 g/mol
• Exact Mass: 2720.50
• IUPAC Name: (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate
• SMILES: C=C(C)C(=O)OC1(C)CCC(C(=O)OC(CS(=O)(=O)OC)C(F)(F)F)CC1.C=C(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)cc1.C=C(C)c1ccc(CC(=O)OC(CS(=O)(=O)OC)C(F)(F)F)cc1.C=C(C)c1ccc(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)cc1.C=C(C)c1cccc(C(=O)OC(CS(=O)(=O)OC)C(F)(F)F)c1.C=C(C)c1cccc(CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c1.C=C(C)c1cccc(CCC(=O)OC(CS(=O)(=O)OC)C(F)(F)F)c1
• InChI: InChI=1S/C16H17F5O5S.C16H23F3O7S.C16H19F3O5S.C15H15F5O5S.C15H17F3O5S.C14H13F5O5S.C14H15F3O5S/c1-10(2)12-7-4-11(5-8-12)6-9-13(22)26-14(15(17,18)19)16(20,21)27(23,24)25-3;1-10(2)13(20)26-15(3)7-5-11(6-8-15)14(21)25-12(16(17,18)19)9-27(22,23)24-4;1-11(2)13-6-4-5-12(9-13)7-8-15(20)24-14(16(17,18)19)10-25(21,22)23-3;1-9(2)11-6-4-5-10(7-11)8-12(21)25-13(14(16,17)18)15(19,20)26(22,23)24-3;1-10(2)12-6-4-11(5-7-12)8-14(19)23-13(15(16,17)18)9-24(20,21)22-3;1-8(2)9-4-6-10(7-5-9)11(20)24-12(13(15,16)17)14(18,19)25(21,22)23-3;1-9(2)10-5-4-6-11(7-10)13(18)22-12(14(15,16)17)8-23(19,20)21-3/h4-5,7-8,14H,1,6,9H2,2-3H3;11-12H,1,5-9H2,2-4H3;4-6,9,14H,1,7-8,10H2,2-3H3;4-7,13H,1,8H2,2-3H3;4-7,13H,1,8-9H2,2-3H3;4-7,12H,1H2,2-3H3;4-7,12H,1,8H2,2-3H3
• InChIKey: GCQOFYFQILLWSC-UHFFFAOYSA-N
• XLogP: 21.48
• TPSA: 513.99 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 49
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2722.50
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate?

The IUPAC name of (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate (CID 158215986) is (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate.

What is the SMILES notation for (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate?

The canonical SMILES for (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate is C=C(C)C(=O)OC1(C)CCC(C(=O)OC(CS(=O)(=O)OC)C(F)(F)F)CC1.C=C(C)c1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)cc1.C=C(C)c1ccc(CC(=O)OC(CS(=O)(=O)OC)C(F)(F)F)cc1.C=C(C)c1ccc(CCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)cc1.C=C(C)c1cccc(C(=O)OC(CS(=O)(=O)OC)C(F)(F)F)c1.C=C(C)c1cccc(CC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c1.C=C(C)c1cccc(CCC(=O)OC(CS(=O)(=O)OC)C(F)(F)F)c1.

What is the InChIKey of (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate?

The InChIKey is GCQOFYFQILLWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5O5S.C16H23F3O7S.C16H19F3O5S.C15H15F5O5S.C15H17F3O5S.C14H13F5O5S.C14H15F3O5S/c1-10(2)12-7-4-11(5-8-12)6-9-13(22)26-14(15(17,18)19)16(20,21)27(23,24)25-3;1-10(2)13(20)26-15(3)7-5-11(6-8-15)14(21)25-12(16(17,18)19)9-27(22,23)24-4;1-11(2)13-6-4-5-12(9-13)7-8-15(20)24-14(16(17,18)19)10-25(21,22)23-3;1-9(2)11-6-4-5-10(7-11)8-12(21)25-13(14(16,17)18)15(19,20)26(22,23)24-3;1-10(2)12-6-4-11(5-7-12)8-14(19)23-13(15(16,17)18)9-24(20,21)22-3;1-8(2)9-4-6-10(7-5-9)11(20)24-12(13(15,16)17)14(18,19)25(21,22)23-3;1-9(2)10-5-4-6-11(7-10)13(18)22-12(14(15,16)17)8-23(19,20)21-3/h4-5,7-8,14H,1,6,9H2,2-3H3;11-12H,1,5-9H2,2-4H3;4-6,9,14H,1,7-8,10H2,2-3H3;4-7,13H,1,8H2,2-3H3;4-7,13H,1,8-9H2,2-3H3;4-7,12H,1H2,2-3H3;4-7,12H,1,8H2,2-3H3.

What are the key properties of (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate?

(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate has a molecular weight of 2722.50 g/mol, XLogP of 21.48, 49 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylbenzoate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 2-(3-prop-1-en-2-ylphenyl)acetate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 3-(4-prop-1-en-2-ylphenyl)propanoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 4-methyl-4-(2-methylprop-2-enoyloxy)cyclohexane-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-prop-1-en-2-ylbenzoate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 2-(4-prop-1-en-2-ylphenyl)acetate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 3-(3-prop-1-en-2-ylphenyl)propanoate is sourced from PubChem (CID 158215986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).