trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium

C56H80F34N5O14+5 — CID 101031810

About trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium

trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium (PubChem CID 101031810) has the molecular formula C56H80F34N5O14+5 and a molecular weight of 1693.21 g/mol. Its IUPAC name is trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium.

Molecular Properties

• Compound Name: trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium
• PubChem CID: 101031810
• Molecular Formula: C56H80F34N5O14+5
• Molecular Weight: 1693.21 g/mol
• Exact Mass: 1692.51
• IUPAC Name: trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium
• SMILES: C[N+](C)(C)CCOC(=O)C(CC(CC(CC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(=O)OCC[N+](C)(C)C)C(=O)OCC[N+](C)(C)C)CC(CC(C(=O)OCC[N+](C)(C)C)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(=O)OCC[N+](C)(C)C
• InChI: InChI=1S/C56H80F34N5O14/c1-91(2,3)16-21-101-36(96)31(27-33(38(98)103-23-18-93(7,8)9)29-35(40(100)105-25-20-95(13,14)15)42(58,48(68,69)70)107-56(89,90)46(64,52(80,81)82)109-54(85,86)44(61,62)50(74,75)76)26-32(37(97)102-22-17-92(4,5)6)28-34(39(99)104-24-19-94(10,11)12)30-41(57,47(65,66)67)106-55(87,88)45(63,51(77,78)79)108-53(83,84)43(59,60)49(71,72)73/h31-35H,16-30H2,1-15H3/q+5
• InChIKey: XSEVVPNNTIQGLW-UHFFFAOYSA-N
• XLogP: 12.01
• TPSA: 168.42 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 43
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.21
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium?

The IUPAC name of trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium (CID 101031810) is trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium.

What is the SMILES notation for trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium?

The canonical SMILES for trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium is C[N+](C)(C)CCOC(=O)C(CC(CC(CC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(=O)OCC[N+](C)(C)C)C(=O)OCC[N+](C)(C)C)CC(CC(C(=O)OCC[N+](C)(C)C)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(=O)OCC[N+](C)(C)C.

What is the InChIKey of trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium?

The InChIKey is XSEVVPNNTIQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H80F34N5O14/c1-91(2,3)16-21-101-36(96)31(27-33(38(98)103-23-18-93(7,8)9)29-35(40(100)105-25-20-95(13,14)15)42(58,48(68,69)70)107-56(89,90)46(64,52(80,81)82)109-54(85,86)44(61,62)50(74,75)76)26-32(37(97)102-22-17-92(4,5)6)28-34(39(99)104-24-19-94(10,11)12)30-41(57,47(65,66)67)106-55(87,88)45(63,51(77,78)79)108-53(83,84)43(59,60)49(71,72)73/h31-35H,16-30H2,1-15H3/q+5.

What are the key properties of trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium?

trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium has a molecular weight of 1693.21 g/mol, XLogP of 12.01, 43 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[2-[8,9,9,9-tetrafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2-[5,6,6,6-tetrafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-2,4-bis[2-(trimethylazaniumyl)ethoxycarbonyl]hexyl]-4,6-bis[2-(trimethylazaniumyl)ethoxycarbonyl]nonanoyl]oxyethyl]azanium is sourced from PubChem (CID 101031810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).