2-(18F)fluoroethyl(trimethyl)azanium

C5H13FN+ — CID 10011857

IUPAC2-(18F)fluoroethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC[18F]
InChIInChI=1S/C5H13FN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1/i6-1
InChIKeyWOAGQHQTBSCFJV-KWCOIAHCSA-N
MW105.17 g/mol
LogP0.66
Rot. Bonds2

About 2-(18F)fluoroethyl(trimethyl)azanium

2-(18F)fluoroethyl(trimethyl)azanium (PubChem CID 10011857) has the molecular formula C5H13FN+ and a molecular weight of 105.17 g/mol. Its IUPAC name is 2-(18F)fluoroethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-(18F)fluoroethyl(trimethyl)azanium
PubChem CID10011857
Molecular FormulaC5H13FN+
Molecular Weight105.17 g/mol
Exact Mass105.11
IUPAC Name2-(18F)fluoroethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC[18F]
InChIInChI=1S/C5H13FN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1/i6-1
InChIKeyWOAGQHQTBSCFJV-KWCOIAHCSA-N
XLogP0.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.17
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(18F)fluoroethyl(trimethyl)azanium?
The IUPAC name of 2-(18F)fluoroethyl(trimethyl)azanium (CID 10011857) is 2-(18F)fluoroethyl(trimethyl)azanium.
What is the SMILES notation for 2-(18F)fluoroethyl(trimethyl)azanium?
The canonical SMILES for 2-(18F)fluoroethyl(trimethyl)azanium is C[N+](C)(C)CC[18F].
What is the InChIKey of 2-(18F)fluoroethyl(trimethyl)azanium?
The InChIKey is WOAGQHQTBSCFJV-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H13FN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1/i6-1.
What are the key properties of 2-(18F)fluoroethyl(trimethyl)azanium?
2-(18F)fluoroethyl(trimethyl)azanium has a molecular weight of 105.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(18F)fluoroethyl(trimethyl)azanium is sourced from PubChem (CID 10011857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).