3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate

C178H189F27I6O48S6 — CID 157394724

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate (PubChem CID 157394724) has the molecular formula C178H189F27I6O48S6 and a molecular weight of 4563.19 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate.

Molecular Properties

• Compound Name: 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate
• PubChem CID: 157394724
• Molecular Formula: C178H189F27I6O48S6
• Molecular Weight: 4563.19 g/mol
• Exact Mass: 4560.45
• IUPAC Name: 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate
• SMILES: C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3CC(=O)OC1C3C2.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CCC3C(C2)C(=O)OC31.CC(O)(CC1CC2CCC1C2)C(F)(F)F.O=C1CC2(CO1)CC1CCC2C1.O=C1OCC2C3CCC(C3)C12.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
• InChI: InChI=1S/2C17H20F4O8S.C15H16F4O9S.6C12H10I.C11H17F3O.C10H14O2.3C9H12F4O6S.C9H12O2/c1-8(7-27-3-2-16(18,19)17(20,21)30(24,25)26)15(23)29-13-10-4-9-6-12(22)28-14(13)11(9)5-10;1-8(7-27-5-4-16(18,19)17(20,21)30(24,25)26)14(22)28-12-9-2-3-10-11(6-9)15(23)29-13(10)12;1-6(5-25-3-2-14(16,17)15(18,19)29(22,23)24)12(20)27-10-8-4-7-9(26-8)11(10)28-13(7)21;6*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;3*1-6(7(14)18-2)5-19-4-3-8(10,11)9(12,13)20(15,16)17;10-9-8-6-2-1-5(3-6)7(8)4-11-9/h9-11,13-14H,1-7H2,(H,24,25,26);9-13H,1-7H2,(H,24,25,26);7-11H,1-5H2,(H,22,23,24);6*1-10H;7-9,15H,2-6H2,1H3;7-8H,1-6H2;3*1,3-5H2,2H3,(H,15,16,17);5-8H,1-4H2/q;;;6*+1;;;;;;/p-6
• InChIKey: BMKVKRXNHFTGCE-UHFFFAOYSA-H
• XLogP: 11.21
• TPSA: 717.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 48
• Rotatable Bonds: 65
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4563.19
LogP ≤ 5	11.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate?

The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate (CID 157394724) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate.

What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate?

The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate is C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CC3CC(=O)OC1C3C2.C=C(COCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C(=O)OC1C2CCC3C(C2)C(=O)OC31.CC(O)(CC1CC2CCC1C2)C(F)(F)F.O=C1CC2(CO1)CC1CCC2C1.O=C1OCC2C3CCC(C3)C12.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.

What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate?

The InChIKey is BMKVKRXNHFTGCE-UHFFFAOYSA-H. The full InChI is InChI=1S/2C17H20F4O8S.C15H16F4O9S.6C12H10I.C11H17F3O.C10H14O2.3C9H12F4O6S.C9H12O2/c1-8(7-27-3-2-16(18,19)17(20,21)30(24,25)26)15(23)29-13-10-4-9-6-12(22)28-14(13)11(9)5-10;1-8(7-27-5-4-16(18,19)17(20,21)30(24,25)26)14(22)28-12-9-2-3-10-11(6-9)15(23)29-13(10)12;1-6(5-25-3-2-14(16,17)15(18,19)29(22,23)24)12(20)27-10-8-4-7-9(26-8)11(10)28-13(7)21;6*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7;11-9-5-10(6-12-9)4-7-1-2-8(10)3-7;3*1-6(7(14)18-2)5-19-4-3-8(10,11)9(12,13)20(15,16)17;10-9-8-6-2-1-5(3-6)7(8)4-11-9/h9-11,13-14H,1-7H2,(H,24,25,26);9-13H,1-7H2,(H,24,25,26);7-11H,1-5H2,(H,22,23,24);6*1-10H;7-9,15H,2-6H2,1H3;7-8H,1-6H2;3*1,3-5H2,2H3,(H,15,16,17);5-8H,1-4H2/q;;;6*+1;;;;;;/p-6.

What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate?

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate has a molecular weight of 4563.19 g/mol, XLogP of 11.21, 65 rotatable bonds, 1 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylpropan-2-ol;hexakis(diphenyliodanium);4-oxatricyclo[5.2.1.02,6]decan-3-one;spiro[bicyclo[2.2.1]heptane-2,4'-oxolane]-2'-one;tris(1,1,2,2-tetrafluoro-4-(2-methoxycarbonylprop-2-enoxy)butane-1-sulfonate);1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[4.3.1.03,7]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate;1,1,2,2-tetrafluoro-4-[2-[(5-oxo-4-oxatricyclo[5.2.1.03,8]decan-2-yl)oxycarbonyl]prop-2-enoxy]butane-1-sulfonate is sourced from PubChem (CID 157394724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).