bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate

C112H116F74N2O38S2 — CID 159033176

About bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate

bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate (PubChem CID 159033176) has the molecular formula C112H116F74N2O38S2 and a molecular weight of 3568.12 g/mol. Its IUPAC name is bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate.

Molecular Properties

• Compound Name: bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate
• PubChem CID: 159033176
• Molecular Formula: C112H116F74N2O38S2
• Molecular Weight: 3568.12 g/mol
• Exact Mass: 3566.55
• IUPAC Name: bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate
• SMILES: C.C.C.C.C=CC(=O)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCCOC(=O)C=C.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C.C=CC(=O)OCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCCCCOC(=O)C=C.C=CC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCN(CCOC)S(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C32H30F16O12.C24H22F16O8.C20H14F16O7.C14H12F15NO4S.C12H10F8O4.C6H12F3NO3S.4CH4/c1-7-17(49)55-11-23(5,12-56-18(50)8-2)21(53)59-15-25(33,34)27(37,38)29(41,42)31(45,46)32(47,48)30(43,44)28(39,40)26(35,36)16-60-22(54)24(6,13-57-19(51)9-3)14-58-20(52)10-4;1-3-13(41)45-9-5-7-11-47-15(43)17(25,26)19(29,30)21(33,34)23(37,38)24(39,40)22(35,36)20(31,32)18(27,28)16(44)48-12-8-6-10-46-14(42)4-2;1-3-9(37)5-6-42-11(39)13(21,22)15(25,26)17(29,30)19(33,34)20(35,36)18(31,32)16(27,28)14(23,24)12(40)43-8-7-41-10(38)4-2;1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27;1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2;1-3-10(4-5-13-2)14(11,12)6(7,8)9;;;;/h7-10H,1-4,11-16H2,5-6H3;3-4H,1-2,5-12H2;3-4H,1-2,5-8H2;3H,1,4-6H2,2H3;3-4H,1-2,5-6H2;3-5H2,1-2H3;4*1H4
• InChIKey: JVDDTEMVGSXPOO-UHFFFAOYSA-N
• XLogP: 28.32
• TPSA: 521.86 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 89
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3568.12
LogP ≤ 5	28.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate?

The IUPAC name of bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate (CID 159033176) is bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate.

What is the SMILES notation for bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate?

The canonical SMILES for bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate is C.C.C.C.C=CC(=O)CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCCOC(=O)C=C.C=CC(=O)OCC(C)(COC(=O)C=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C(C)(COC(=O)C=C)COC(=O)C=C.C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)C=C.C=CC(=O)OCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCCCCOC(=O)C=C.C=CC(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCN(CCOC)S(=O)(=O)C(F)(F)F.

What is the InChIKey of bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate?

The InChIKey is JVDDTEMVGSXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F16O12.C24H22F16O8.C20H14F16O7.C14H12F15NO4S.C12H10F8O4.C6H12F3NO3S.4CH4/c1-7-17(49)55-11-23(5,12-56-18(50)8-2)21(53)59-15-25(33,34)27(37,38)29(41,42)31(45,46)32(47,48)30(43,44)28(39,40)26(35,36)16-60-22(54)24(6,13-57-19(51)9-3)14-58-20(52)10-4;1-3-13(41)45-9-5-7-11-47-15(43)17(25,26)19(29,30)21(33,34)23(37,38)24(39,40)22(35,36)20(31,32)18(27,28)16(44)48-12-8-6-10-46-14(42)4-2;1-3-9(37)5-6-42-11(39)13(21,22)15(25,26)17(29,30)19(33,34)20(35,36)18(31,32)16(27,28)14(23,24)12(40)43-8-7-41-10(38)4-2;1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27;1-3-7(21)23-5-9(13,14)11(17,18)12(19,20)10(15,16)6-24-8(22)4-2;1-3-10(4-5-13-2)14(11,12)6(7,8)9;;;;/h7-10H,1-4,11-16H2,5-6H3;3-4H,1-2,5-12H2;3-4H,1-2,5-8H2;3H,1,4-6H2,2H3;3-4H,1-2,5-6H2;3-5H2,1-2H3;4*1H4.

What are the key properties of bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate?

bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate has a molecular weight of 3568.12 g/mol, XLogP of 28.32, 89 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-prop-2-enoyloxybutyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethyl prop-2-enoate;N-ethyl-1,1,1-trifluoro-N-(2-methoxyethyl)methanesulfonamide;[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoyl]oxydecyl] 2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propanoate;methane;(2,2,3,3,4,4,5,5-octafluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate;1-O-(3-oxopent-4-enyl) 10-O-(2-prop-2-enoyloxyethyl) 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanedioate is sourced from PubChem (CID 159033176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).