3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate

C102H155F14O46S7-7 — CID 159444009

About 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate

3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate (PubChem CID 159444009) has the molecular formula C102H155F14O46S7-7 and a molecular weight of 2607.76 g/mol. Its IUPAC name is 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate.

Molecular Properties

• Compound Name: 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate
• PubChem CID: 159444009
• Molecular Formula: C102H155F14O46S7-7
• Molecular Weight: 2607.76 g/mol
• Exact Mass: 2605.76
• IUPAC Name: 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate
• SMILES: C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(C(C)C)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(C)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(CC)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC1CCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOCC
• InChI: InChI=1S/C18H26F2O7S.C18H30F2O6S.C17H28F2O6S.C16H26F2O6S.C14H22F2O7S.C10H16F2O7S.C9H14F2O7S/c1-11(9-25-3-2-18(19,20)28(22,23)24)17(21)27-10-26-16-14-5-12-4-13(7-14)8-15(16)6-12;1-14(2)17(9-7-5-4-6-8-10-17)26-16(21)15(3)13-25-12-11-18(19,20)27(22,23)24;1-3-16(9-7-5-4-6-8-10-16)25-15(20)14(2)13-24-12-11-17(18,19)26(21,22)23;1-13(12-23-11-10-16(17,18)25(20,21)22)14(19)24-15(2)8-6-4-3-5-7-9-15;1-11(9-21-8-7-14(15,16)24(18,19)20)13(17)23-10-22-12-5-3-2-4-6-12;1-3-17-7-19-9(13)8(2)6-18-5-4-10(11,12)20(14,15)16;1-7(8(12)18-6-16-2)5-17-4-3-9(10,11)19(13,14)15/h12-16H,1-10H2,(H,22,23,24);14H,3-13H2,1-2H3,(H,22,23,24);2-13H2,1H3,(H,21,22,23);1,3-12H2,2H3,(H,20,21,22);12H,1-10H2,(H,18,19,20);2-7H2,1H3,(H,14,15,16);1,3-6H2,2H3,(H,13,14,15)/p-7
• InChIKey: LSNMNXBOAKPPMW-UHFFFAOYSA-G
• XLogP: 15.65
• TPSA: 686.03 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 65
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2607.76
LogP ≤ 5	15.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate?

The IUPAC name of 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate (CID 159444009) is 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate.

What is the SMILES notation for 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate?

The canonical SMILES for 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate is C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(C(C)C)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(C)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OC1(CC)CCCCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOC1CCCCC1.C=C(COCCC(F)(F)S(=O)(=O)[O-])C(=O)OCOCC.

What is the InChIKey of 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate?

The InChIKey is LSNMNXBOAKPPMW-UHFFFAOYSA-G. The full InChI is InChI=1S/C18H26F2O7S.C18H30F2O6S.C17H28F2O6S.C16H26F2O6S.C14H22F2O7S.C10H16F2O7S.C9H14F2O7S/c1-11(9-25-3-2-18(19,20)28(22,23)24)17(21)27-10-26-16-14-5-12-4-13(7-14)8-15(16)6-12;1-14(2)17(9-7-5-4-6-8-10-17)26-16(21)15(3)13-25-12-11-18(19,20)27(22,23)24;1-3-16(9-7-5-4-6-8-10-16)25-15(20)14(2)13-24-12-11-17(18,19)26(21,22)23;1-13(12-23-11-10-16(17,18)25(20,21)22)14(19)24-15(2)8-6-4-3-5-7-9-15;1-11(9-21-8-7-14(15,16)24(18,19)20)13(17)23-10-22-12-5-3-2-4-6-12;1-3-17-7-19-9(13)8(2)6-18-5-4-10(11,12)20(14,15)16;1-7(8(12)18-6-16-2)5-17-4-3-9(10,11)19(13,14)15/h12-16H,1-10H2,(H,22,23,24);14H,3-13H2,1-2H3,(H,22,23,24);2-13H2,1H3,(H,21,22,23);1,3-12H2,2H3,(H,20,21,22);12H,1-10H2,(H,18,19,20);2-7H2,1H3,(H,14,15,16);1,3-6H2,2H3,(H,13,14,15)/p-7.

What are the key properties of 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate?

3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate has a molecular weight of 2607.76 g/mol, XLogP of 15.65, 65 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-adamantyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(cyclohexyloxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-3-[2-(methoxymethoxycarbonyl)prop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-methylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;1,1-difluoro-3-[2-(1-propan-2-ylcyclooctyl)oxycarbonylprop-2-enoxy]propane-1-sulfonate;3-[2-(ethoxymethoxycarbonyl)prop-2-enoxy]-1,1-difluoropropane-1-sulfonate;3-[2-(1-ethylcyclooctyl)oxycarbonylprop-2-enoxy]-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 159444009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).