3-(2-(18F)fluoroethoxy)prop-1-yne

C5H7FO — CID 59470472

IUPAC3-(2-(18F)fluoroethoxy)prop-1-yne
SMILESC#CCOCC[18F]
InChIInChI=1S/C5H7FO/c1-2-4-7-5-3-6/h1H,3-5H2/i6-1
InChIKeyUSEAOCMVHIEIPG-KWCOIAHCSA-N
MW101.11 g/mol
LogP0.61
Rot. Bonds3

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

3-(2-(18F)fluoroethoxy)prop-1-yne (PubChem CID 59470472) has the molecular formula C5H7FO and a molecular weight of 101.11 g/mol. Its IUPAC name is 3-(2-(18F)fluoroethoxy)prop-1-yne.

Molecular Properties

Compound Name3-(2-(18F)fluoroethoxy)prop-1-yne
PubChem CID59470472
Molecular FormulaC5H7FO
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name3-(2-(18F)fluoroethoxy)prop-1-yne
SMILESC#CCOCC[18F]
InChIInChI=1S/C5H7FO/c1-2-4-7-5-3-6/h1H,3-5H2/i6-1
InChIKeyUSEAOCMVHIEIPG-KWCOIAHCSA-N
XLogP0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(18F)fluoroethoxy)prop-1-yne?
The IUPAC name of 3-(2-(18F)fluoroethoxy)prop-1-yne (CID 59470472) is 3-(2-(18F)fluoroethoxy)prop-1-yne.
What is the SMILES notation for 3-(2-(18F)fluoroethoxy)prop-1-yne?
The canonical SMILES for 3-(2-(18F)fluoroethoxy)prop-1-yne is C#CCOCC[18F].
What is the InChIKey of 3-(2-(18F)fluoroethoxy)prop-1-yne?
The InChIKey is USEAOCMVHIEIPG-KWCOIAHCSA-N. The full InChI is InChI=1S/C5H7FO/c1-2-4-7-5-3-6/h1H,3-5H2/i6-1.
What are the key properties of 3-(2-(18F)fluoroethoxy)prop-1-yne?
3-(2-(18F)fluoroethoxy)prop-1-yne has a molecular weight of 101.11 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-(18F)fluoroethoxy)prop-1-yne is sourced from PubChem (CID 59470472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).