3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne

C7H11FO2 — CID 16724484

IUPAC3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
SMILESC#CCOCCOCC[18F]
InChIInChI=1S/C7H11FO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-7H2/i8-1
InChIKeyGIOKZTGHPGLAHB-COJKEBBMSA-N
MW145.16 g/mol
LogP0.62
Rot. Bonds6

About 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne

3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne (PubChem CID 16724484) has the molecular formula C7H11FO2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne.

Molecular Properties

Compound Name3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
PubChem CID16724484
Molecular FormulaC7H11FO2
Molecular Weight145.16 g/mol
Exact Mass145.08
IUPAC Name3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
SMILESC#CCOCCOCC[18F]
InChIInChI=1S/C7H11FO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-7H2/i8-1
InChIKeyGIOKZTGHPGLAHB-COJKEBBMSA-N
XLogP0.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne?
The IUPAC name of 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne (CID 16724484) is 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne.
What is the SMILES notation for 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne?
The canonical SMILES for 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne is C#CCOCCOCC[18F].
What is the InChIKey of 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne?
The InChIKey is GIOKZTGHPGLAHB-COJKEBBMSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-7H2/i8-1.
What are the key properties of 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne?
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne has a molecular weight of 145.16 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne is sourced from PubChem (CID 16724484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).