dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium

C26H40F17N2+ — CID 89192599

IUPACdodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H40F17N2/c1-4-5-6-7-8-9-10-11-12-13-16-45(2,3)17-14-15-44-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h44H,4-18H2,1-3H3/q+1
InChIKeyUQMXUBOVJPKYCV-UHFFFAOYSA-N
MW703.59 g/mol
LogP9.97
Rot. Bonds23

About dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium

dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium (PubChem CID 89192599) has the molecular formula C26H40F17N2+ and a molecular weight of 703.59 g/mol. Its IUPAC name is dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium.

Molecular Properties

Compound Namedodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium
PubChem CID89192599
Molecular FormulaC26H40F17N2+
Molecular Weight703.59 g/mol
Exact Mass703.29
IUPAC Namedodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium
SMILESCCCCCCCCCCCC[N+](C)(C)CCCNCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C26H40F17N2/c1-4-5-6-7-8-9-10-11-12-13-16-45(2,3)17-14-15-44-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h44H,4-18H2,1-3H3/q+1
InChIKeyUQMXUBOVJPKYCV-UHFFFAOYSA-N
XLogP9.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.59
LogP ≤ 59.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium?
The IUPAC name of dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium (CID 89192599) is dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium.
What is the SMILES notation for dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium?
The canonical SMILES for dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium is CCCCCCCCCCCC[N+](C)(C)CCCNCC(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 dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium?
The InChIKey is UQMXUBOVJPKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F17N2/c1-4-5-6-7-8-9-10-11-12-13-16-45(2,3)17-14-15-44-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h44H,4-18H2,1-3H3/q+1.
What are the key properties of dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium?
dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium has a molecular weight of 703.59 g/mol, XLogP of 9.97, 23 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-[3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononylamino)propyl]-dimethylazanium is sourced from PubChem (CID 89192599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).