butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate

C114H132F92N4O8S4 — CID 165069353

About butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate

butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate (PubChem CID 165069353) has the molecular formula C114H132F92N4O8S4 and a molecular weight of 3562.41 g/mol. Its IUPAC name is butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate.

Molecular Properties

• Compound Name: butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate
• PubChem CID: 165069353
• Molecular Formula: C114H132F92N4O8S4
• Molecular Weight: 3562.41 g/mol
• Exact Mass: 3560.75
• IUPAC Name: butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate
• SMILES: C=C(C)C(=O)NCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)NCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCCC.CCCC.CCCC.CCCC
• InChI: InChI=1S/C15H16F13NO.C14H14F13NO.C14H18F9NO.C13H12F13NO.C12H9F13OS.C11H7F13OS.C10H9F9OS.C9H7F9OS.4C4H10/c1-2-9(30)29-8-6-4-3-5-7-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28;1-7(2)8(29)28-6-4-3-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-9(2)10(25)24-8-6-4-3-5-7-11(15,16)12(17,18)13(19,20)14(21,22)23;1-2-7(28)27-6-4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25;1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24;1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19;1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18;4*1-3-4-2/h2H,1,3-8H2,(H,29,30);1,3-6H2,2H3,(H,28,29);1,3-8H2,2H3,(H,24,25);2H,1,3-6H2,(H,27,28);1,3-4H2,2H3;2H,1,3-4H2;1,3-4H2,2H3;2H,1,3-4H2;4*3-4H2,1-2H3
• InChIKey: SMPLNFFUEJDBDI-UHFFFAOYSA-N
• XLogP: 49.57
• TPSA: 184.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 74
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3562.41
LogP ≤ 5	49.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate?

The IUPAC name of butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate (CID 165069353) is butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate.

What is the SMILES notation for butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate?

The canonical SMILES for butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate is C=C(C)C(=O)NCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=C(C)C(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)NCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)NCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C=CC(=O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCCC.CCCC.CCCC.CCCC.

What is the InChIKey of butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate?

The InChIKey is SMPLNFFUEJDBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F13NO.C14H14F13NO.C14H18F9NO.C13H12F13NO.C12H9F13OS.C11H7F13OS.C10H9F9OS.C9H7F9OS.4C4H10/c1-2-9(30)29-8-6-4-3-5-7-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28;1-7(2)8(29)28-6-4-3-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;1-9(2)10(25)24-8-6-4-3-5-7-11(15,16)12(17,18)13(19,20)14(21,22)23;1-2-7(28)27-6-4-3-5-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25;1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24;1-5(2)6(20)21-4-3-7(11,12)8(13,14)9(15,16)10(17,18)19;1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18;4*1-3-4-2/h2H,1,3-8H2,(H,29,30);1,3-6H2,2H3,(H,28,29);1,3-8H2,2H3,(H,24,25);2H,1,3-6H2,(H,27,28);1,3-4H2,2H3;2H,1,3-4H2;1,3-4H2,2H3;2H,1,3-4H2;4*3-4H2,1-2H3.

What are the key properties of butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate?

butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate has a molecular weight of 3562.41 g/mol, XLogP of 49.57, 74 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for butane;2-methyl-N-(7,7,8,8,9,9,10,10,10-nonafluorodecyl)prop-2-enamide;2-methyl-N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,6-nonafluorohexyl) prop-2-enethioate;N-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecyl)prop-2-enamide;N-(7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecyl)prop-2-enamide;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-methylprop-2-enethioate;S-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) prop-2-enethioate is sourced from PubChem (CID 165069353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).