4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate

C104H92F32O48-8 — CID 165031442

IUPAC4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate
SMILESCC(C)(C)OC(=O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].CCOC(=O)C12CC3CC(CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C1)C2.COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C(O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2C=CC1O2.O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CCC1O2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C2.O=C1OC2C(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])C3CC1C2O3
InChIInChI=1S/C17H20F4O6.C16H18F4O6.C14H12F4O8.C14H14F4O5.C12H10F4O6.C11H8F4O7.C10H10F4O5.C10H8F4O5/c1-2-26-12(24)14-4-9-3-10(5-14)7-15(6-9,8-14)27-13(25)17(20,21)16(18,19)11(22)23;1-14(2,3)26-11(21)9-7-4-5-8(6-7)10(9)25-13(24)16(19,20)15(17,18)12(22)23;1-24-9(19)5-3-2-4-6(5)10(20)25-7(4)8(3)26-12(23)14(17,18)13(15,16)11(21)22;15-13(16,10(20)21)14(17,18)11(22)23-12-3-6-1-7(4-12)9(19)8(2-6)5-12;13-11(14,9(19)20)12(15,16)10(21)22-7-5-2-1-4(3-5)6(7)8(17)18;12-10(13,8(17)18)11(14,15)9(19)22-5-3-1-2-4(20-3)6(5)21-7(2)16;2*11-9(12,7(15)16)10(13,14)8(17)19-6-3-4-1-2-5(6)18-4/h9-10H,2-8H2,1H3,(H,22,23);4-5,7-10H,6H2,1-3H3,(H,22,23);3-8H,2H2,1H3,(H,21,22);6-8H,1-5H2,(H,20,21);1-2,4-7H,3H2,(H,17,18)(H,19,20);2-6H,1H2,(H,17,18);4-6H,1-3H2,(H,15,16);1-2,4-6H,3H2,(H,15,16)/p-8
InChIKeyMSHSOMHUAQHHGS-UHFFFAOYSA-F
MW2717.77 g/mol
LogP0.10
Rot. Bonds37

About 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate

4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate (PubChem CID 165031442) has the molecular formula C104H92F32O48-8 and a molecular weight of 2717.77 g/mol. Its IUPAC name is 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate.

Molecular Properties

Compound Name4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate
PubChem CID165031442
Molecular FormulaC104H92F32O48-8
Molecular Weight2717.77 g/mol
Exact Mass2716.43
IUPAC Name4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate
SMILESCC(C)(C)OC(=O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].CCOC(=O)C12CC3CC(CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C1)C2.COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C(O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2C=CC1O2.O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CCC1O2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C2.O=C1OC2C(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])C3CC1C2O3
InChIInChI=1S/C17H20F4O6.C16H18F4O6.C14H12F4O8.C14H14F4O5.C12H10F4O6.C11H8F4O7.C10H10F4O5.C10H8F4O5/c1-2-26-12(24)14-4-9-3-10(5-14)7-15(6-9,8-14)27-13(25)17(20,21)16(18,19)11(22)23;1-14(2,3)26-11(21)9-7-4-5-8(6-7)10(9)25-13(24)16(19,20)15(17,18)12(22)23;1-24-9(19)5-3-2-4-6(5)10(20)25-7(4)8(3)26-12(23)14(17,18)13(15,16)11(21)22;15-13(16,10(20)21)14(17,18)11(22)23-12-3-6-1-7(4-12)9(19)8(2-6)5-12;13-11(14,9(19)20)12(15,16)10(21)22-7-5-2-1-4(3-5)6(7)8(17)18;12-10(13,8(17)18)11(14,15)9(19)22-5-3-1-2-4(20-3)6(5)21-7(2)16;2*11-9(12,7(15)16)10(13,14)8(17)19-6-3-4-1-2-5(6)18-4/h9-10H,2-8H2,1H3,(H,22,23);4-5,7-10H,6H2,1-3H3,(H,22,23);3-8H,2H2,1H3,(H,21,22);6-8H,1-5H2,(H,20,21);1-2,4-7H,3H2,(H,17,18)(H,19,20);2-6H,1H2,(H,17,18);4-6H,1-3H2,(H,15,16);1-2,4-6H,3H2,(H,15,16)/p-8
InChIKeyMSHSOMHUAQHHGS-UHFFFAOYSA-F
XLogP0.10
TPSA745.00 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds37
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002717.77
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate?
The IUPAC name of 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate (CID 165031442) is 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate.
What is the SMILES notation for 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate?
The canonical SMILES for 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate is CC(C)(C)OC(=O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].CCOC(=O)C12CC3CC(CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C1)C2.COC(=O)C1C2CC3C(OC(=O)C31)C2OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C(O)C1C2C=CC(C2)C1OC(=O)C(F)(F)C(F)(F)C(=O)[O-].O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2C=CC1O2.O=C([O-])C(F)(F)C(F)(F)C(=O)OC1CC2CCC1O2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])(C3)C2.O=C1OC2C(OC(=O)C(F)(F)C(F)(F)C(=O)[O-])C3CC1C2O3.
What is the InChIKey of 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate?
The InChIKey is MSHSOMHUAQHHGS-UHFFFAOYSA-F. The full InChI is InChI=1S/C17H20F4O6.C16H18F4O6.C14H12F4O8.C14H14F4O5.C12H10F4O6.C11H8F4O7.C10H10F4O5.C10H8F4O5/c1-2-26-12(24)14-4-9-3-10(5-14)7-15(6-9,8-14)27-13(25)17(20,21)16(18,19)11(22)23;1-14(2,3)26-11(21)9-7-4-5-8(6-7)10(9)25-13(24)16(19,20)15(17,18)12(22)23;1-24-9(19)5-3-2-4-6(5)10(20)25-7(4)8(3)26-12(23)14(17,18)13(15,16)11(21)22;15-13(16,10(20)21)14(17,18)11(22)23-12-3-6-1-7(4-12)9(19)8(2-6)5-12;13-11(14,9(19)20)12(15,16)10(21)22-7-5-2-1-4(3-5)6(7)8(17)18;12-10(13,8(17)18)11(14,15)9(19)22-5-3-1-2-4(20-3)6(5)21-7(2)16;2*11-9(12,7(15)16)10(13,14)8(17)19-6-3-4-1-2-5(6)18-4/h9-10H,2-8H2,1H3,(H,22,23);4-5,7-10H,6H2,1-3H3,(H,22,23);3-8H,2H2,1H3,(H,21,22);6-8H,1-5H2,(H,20,21);1-2,4-7H,3H2,(H,17,18)(H,19,20);2-6H,1H2,(H,17,18);4-6H,1-3H2,(H,15,16);1-2,4-6H,3H2,(H,15,16)/p-8.
What are the key properties of 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate?
4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate has a molecular weight of 2717.77 g/mol, XLogP of 0.10, 37 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-carboxy-2-bicyclo[2.2.1]hept-5-enyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;4-[(3-ethoxycarbonyl-1-adamantyl)oxy]-2,2,3,3-tetrafluoro-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[(9-methoxycarbonyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-[[3-[(2-methylpropan-2-yl)oxycarbonyl]-2-bicyclo[2.2.1]hept-5-enyl]oxy]-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-(7-oxabicyclo[2.2.1]hept-5-en-2-yloxy)-4-oxobutanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(4-oxo-1-adamantyl)oxy]butanoate;2,2,3,3-tetrafluoro-4-oxo-4-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butanoate is sourced from PubChem (CID 165031442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).