(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate

C132H127F21O49S7 — CID 158574013

About (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate

(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate (PubChem CID 158574013) has the molecular formula C132H127F21O49S7 and a molecular weight of 3120.85 g/mol. Its IUPAC name is (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate.

Molecular Properties

• Compound Name: (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate
• PubChem CID: 158574013
• Molecular Formula: C132H127F21O49S7
• Molecular Weight: 3120.85 g/mol
• Exact Mass: 3118.52
• IUPAC Name: (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate
• SMILES: C=C(C)C(=O)OC1=CC=CC2C(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)CCCC12.C=C(C)C(=O)Oc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c2ccccc12.C=C(C)C(=O)Oc1ccc2c(c1)CC(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)C2.C=C(C)C(=O)Oc1ccc2cc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)ccc2c1.C=C(C)C(=O)Oc1ccc2ccc(C(=O)OC(C)CS(=O)(=O)OC)cc2c1.C=C(C)C(=O)Oc1ccc2cccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c2c1.C=C(C)C(=O)Oc1cccc2c(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)cccc12
• InChI: InChI=1S/3C19H15F5O7S.C19H24F2O7S.C19H18F2O7S.C19H20O7S.C18H20F2O7S/c1-10(2)15(25)30-14-7-6-11-8-13(5-4-12(11)9-14)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;1-10(2)15(25)30-12-8-7-11-5-4-6-13(14(11)9-12)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;1-10(2)15(25)30-14-9-8-13(11-6-4-5-7-12(11)14)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;2*1-11(2)17(22)28-16-10-6-7-13-14(16)8-5-9-15(13)18(23)27-12(3)19(20,21)29(24,25)26-4;1-12(2)18(20)26-17-8-7-14-5-6-15(9-16(14)10-17)19(21)25-13(3)11-27(22,23)24-4;1-10(2)16(21)27-15-6-5-12-7-14(8-13(12)9-15)17(22)26-11(3)18(19,20)28(23,24)25-4/h3*4-9,17H,1H2,2-3H3;6-7,10,12-15H,1,5,8-9H2,2-4H3;5-10,12H,1H2,2-4H3;5-10,13H,1,11H2,2-4H3;5-6,9,11,14H,1,7-8H2,2-4H3
• InChIKey: HSKZPCBFEQHHJN-UHFFFAOYSA-N
• XLogP: 23.69
• TPSA: 671.79 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 49
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3120.85
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate?

The IUPAC name of (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate (CID 158574013) is (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate.

What is the SMILES notation for (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate?

The canonical SMILES for (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate is C=C(C)C(=O)OC1=CC=CC2C(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)CCCC12.C=C(C)C(=O)Oc1ccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c2ccccc12.C=C(C)C(=O)Oc1ccc2c(c1)CC(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)C2.C=C(C)C(=O)Oc1ccc2cc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)ccc2c1.C=C(C)C(=O)Oc1ccc2ccc(C(=O)OC(C)CS(=O)(=O)OC)cc2c1.C=C(C)C(=O)Oc1ccc2cccc(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)OC)c2c1.C=C(C)C(=O)Oc1cccc2c(C(=O)OC(C)C(F)(F)S(=O)(=O)OC)cccc12.

What is the InChIKey of (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate?

The InChIKey is HSKZPCBFEQHHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H15F5O7S.C19H24F2O7S.C19H18F2O7S.C19H20O7S.C18H20F2O7S/c1-10(2)15(25)30-14-7-6-11-8-13(5-4-12(11)9-14)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;1-10(2)15(25)30-12-8-7-11-5-4-6-13(14(11)9-12)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;1-10(2)15(25)30-14-9-8-13(11-6-4-5-7-12(11)14)16(26)31-17(18(20,21)22)19(23,24)32(27,28)29-3;2*1-11(2)17(22)28-16-10-6-7-13-14(16)8-5-9-15(13)18(23)27-12(3)19(20,21)29(24,25)26-4;1-12(2)18(20)26-17-8-7-14-5-6-15(9-16(14)10-17)19(21)25-13(3)11-27(22,23)24-4;1-10(2)16(21)27-15-6-5-12-7-14(8-13(12)9-15)17(22)26-11(3)18(19,20)28(23,24)25-4/h3*4-9,17H,1H2,2-3H3;6-7,10,12-15H,1,5,8-9H2,2-4H3;5-10,12H,1H2,2-4H3;5-10,13H,1,11H2,2-4H3;5-6,9,11,14H,1,7-8H2,2-4H3.

What are the key properties of (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate?

(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate has a molecular weight of 3120.85 g/mol, XLogP of 23.69, 49 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)-2,3-dihydro-1H-indene-2-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;1-methoxysulfonylpropan-2-yl 7-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 4-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-(2-methylprop-2-enoyloxy)naphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-(2-methylprop-2-enoyloxy)naphthalene-1-carboxylate is sourced from PubChem (CID 158574013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).