1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide

C30H30F34N2O7S2 — CID 162396475

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide (PubChem CID 162396475) has the molecular formula C30H30F34N2O7S2 and a molecular weight of 1240.64 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide
• PubChem CID: 162396475
• Molecular Formula: C30H30F34N2O7S2
• Molecular Weight: 1240.64 g/mol
• Exact Mass: 1240.10
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide
• SMILES: CCCN(CCOCCOCCOCCN(CCC)S(=O)(=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)F)S(=O)(=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)F
• InChI: InChI=1S/C30H30F34N2O7S2/c1-3-5-65(74(67,68)29(61,62)25(51,52)21(43,44)17(35,36)15(31,32)19(39,40)23(47,48)27(55,56)57)7-9-71-11-13-73-14-12-72-10-8-66(6-4-2)75(69,70)30(63,64)26(53,54)22(45,46)18(37,38)16(33,34)20(41,42)24(49,50)28(58,59)60/h3-14H2,1-2H3
• InChIKey: BFQQKAXEMZSLOI-UHFFFAOYSA-N
• XLogP: 11.05
• TPSA: 102.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 32
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1240.64
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide?

The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide (CID 162396475) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide.

What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide?

The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide is CCCN(CCOCCOCCOCCN(CCC)S(=O)(=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)F)S(=O)(=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)F.

What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide?

The InChIKey is BFQQKAXEMZSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F34N2O7S2/c1-3-5-65(74(67,68)29(61,62)25(51,52)21(43,44)17(35,36)15(31,32)19(39,40)23(47,48)27(55,56)57)7-9-71-11-13-73-14-12-72-10-8-66(6-4-2)75(69,70)30(63,64)26(53,54)22(45,46)18(37,38)16(33,34)20(41,42)24(49,50)28(58,59)60/h3-14H2,1-2H3.

What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide?

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide has a molecular weight of 1240.64 g/mol, XLogP of 11.05, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-[2-[2-[2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(propyl)amino]ethoxy]ethoxy]ethoxy]ethyl]-N-propyloctane-1-sulfonamide is sourced from PubChem (CID 162396475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).