bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

C171H176F10O41S10 — CID 157196162

About bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one

bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (PubChem CID 157196162) has the molecular formula C171H176F10O41S10 and a molecular weight of 3397.90 g/mol. Its IUPAC name is bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

Molecular Properties

• Compound Name: bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
• PubChem CID: 157196162
• Molecular Formula: C171H176F10O41S10
• Molecular Weight: 3397.90 g/mol
• Exact Mass: 3394.87
• IUPAC Name: bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one
• SMILES: C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3CC(=O)OC1C3C2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CCC3C(C2)C(=O)OC31.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1CC2(CO1)CC1CCC2C1.O=C1OCC2C3CCC(C3)C12
• InChI: InChI=1S/5C19H17S.2C15H18F2O8S.C13H14F2O9S.C10H14O2.C9H12O2.2C7H10F2O6S/c5*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-7(5-23-6-15(16,17)26(20,21)22)14(19)25-12-9-2-8-4-11(18)24-13(12)10(8)3-9;1-7(5-23-6-15(16,17)26(20,21)22)13(18)24-11-8-2-3-9-10(4-8)14(19)25-12(9)11;1-5(3-21-4-13(14,15)25(18,19)20)11(16)23-9-7-2-6-8(22-7)10(9)24-12(6)17;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;10-9-8-6-2-1-5(3-6)7(8)4-11-9;2*1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13/h5*2-15H,1H3;8-10,12-13H,1-6H2,(H,20,21,22);8-12H,1-6H2,(H,20,21,22);6-10H,1-4H2,(H,18,19,20);7-8H,1-6H2;5-8H,1-4H2;2*1,3-4H2,2H3,(H,11,12,13)/q5*+1;;;;;;;/p-5
• InChIKey: AQGUSKBTLMAVKN-UHFFFAOYSA-I
• XLogP: 28.62
• TPSA: 604.38 Ų
• H-Bond Acceptors: 41
• Rotatable Bonds: 48
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3397.90
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?

The IUPAC name of bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one (CID 157196162) is bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one.

What is the SMILES notation for bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?

The canonical SMILES for bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3CC(=O)OC1C3C2.C=C(COCC(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CCC3C(C2)C(=O)OC31.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C1CC2(CO1)CC1CCC2C1.O=C1OCC2C3CCC(C3)C12.

What is the InChIKey of bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?

The InChIKey is AQGUSKBTLMAVKN-UHFFFAOYSA-I. The full InChI is InChI=1S/5C19H17S.2C15H18F2O8S.C13H14F2O9S.C10H14O2.C9H12O2.2C7H10F2O6S/c5*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-7(5-23-6-15(16,17)26(20,21)22)14(19)25-12-9-2-8-4-11(18)24-13(12)10(8)3-9;1-7(5-23-6-15(16,17)26(20,21)22)13(18)24-11-8-2-3-9-10(4-8)14(19)25-12(9)11;1-5(3-21-4-13(14,15)25(18,19)20)11(16)23-9-7-2-6-8(22-7)10(9)24-12(6)17;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;10-9-8-6-2-1-5(3-6)7(8)4-11-9;2*1-5(6(10)14-2)3-15-4-7(8,9)16(11,12)13/h5*2-15H,1H3;8-10,12-13H,1-6H2,(H,20,21,22);8-12H,1-6H2,(H,20,21,22);6-10H,1-4H2,(H,18,19,20);7-8H,1-6H2;5-8H,1-4H2;2*1,3-4H2,2H3,(H,11,12,13)/q5*+1;;;;;;;/p-5.

What are the key properties of bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one?

bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one has a molecular weight of 3397.90 g/mol, XLogP of 28.62, 48 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1-difluoro-2-(2-methoxycarbonylprop-2-enoxy)ethanesulfonate);1,1-difluoro-2-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;1,1-difluoro-2-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]ethanesulfonate;pentakis((4-methylphenyl)-diphenylsulfanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one is sourced from PubChem (CID 157196162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).