fluoro(tripropyl)azanium

C9H21FN+ — CID 23124795

IUPACfluoro(tripropyl)azanium
SMILESCCC[N+](F)(CCC)CCC
InChIInChI=1S/C9H21FN/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3/q+1
InChIKeyQNRNSXODBWCMHM-UHFFFAOYSA-N
MW162.27 g/mol
LogP2.92
Rot. Bonds6

About fluoro(tripropyl)azanium

fluoro(tripropyl)azanium (PubChem CID 23124795) has the molecular formula C9H21FN+ and a molecular weight of 162.27 g/mol. Its IUPAC name is fluoro(tripropyl)azanium.

Molecular Properties

Compound Namefluoro(tripropyl)azanium
PubChem CID23124795
Molecular FormulaC9H21FN+
Molecular Weight162.27 g/mol
Exact Mass162.17
IUPAC Namefluoro(tripropyl)azanium
SMILESCCC[N+](F)(CCC)CCC
InChIInChI=1S/C9H21FN/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3/q+1
InChIKeyQNRNSXODBWCMHM-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoro(tripropyl)azanium?
The IUPAC name of fluoro(tripropyl)azanium (CID 23124795) is fluoro(tripropyl)azanium.
What is the SMILES notation for fluoro(tripropyl)azanium?
The canonical SMILES for fluoro(tripropyl)azanium is CCC[N+](F)(CCC)CCC.
What is the InChIKey of fluoro(tripropyl)azanium?
The InChIKey is QNRNSXODBWCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21FN/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3/q+1.
What are the key properties of fluoro(tripropyl)azanium?
fluoro(tripropyl)azanium has a molecular weight of 162.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(tripropyl)azanium is sourced from PubChem (CID 23124795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).