3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium

C15H25F9N+ — CID 71377731

IUPAC3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F9N/c1-4-8-25(9-5-2,10-6-3)11-7-12(16,17)13(18,19)14(20,21)15(22,23)24/h4-11H2,1-3H3/q+1
InChIKeyWIWXQAJUJWSYJL-UHFFFAOYSA-N
MW390.35 g/mol
LogP5.89
Rot. Bonds11

About 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium

3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium (PubChem CID 71377731) has the molecular formula C15H25F9N+ and a molecular weight of 390.35 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium
PubChem CID71377731
Molecular FormulaC15H25F9N+
Molecular Weight390.35 g/mol
Exact Mass390.18
IUPAC Name3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F9N/c1-4-8-25(9-5-2,10-6-3)11-7-12(16,17)13(18,19)14(20,21)15(22,23)24/h4-11H2,1-3H3/q+1
InChIKeyWIWXQAJUJWSYJL-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium 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 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium?
The IUPAC name of 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium (CID 71377731) is 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium.
What is the SMILES notation for 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium?
The canonical SMILES for 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium is CCC[N+](CCC)(CCC)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium?
The InChIKey is WIWXQAJUJWSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F9N/c1-4-8-25(9-5-2,10-6-3)11-7-12(16,17)13(18,19)14(20,21)15(22,23)24/h4-11H2,1-3H3/q+1.
What are the key properties of 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium?
3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium has a molecular weight of 390.35 g/mol, XLogP of 5.89, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,6-nonafluorohexyl(tripropyl)azanium is sourced from PubChem (CID 71377731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).