1-ethoxy-3-fluoroprop-1-yne

C5H7FO — CID 91124272

IUPAC1-ethoxy-3-fluoroprop-1-yne
SMILESCCOC#CCF
InChIInChI=1S/C5H7FO/c1-2-7-5-3-4-6/h2,4H2,1H3
InChIKeyFCQHYLUHWVVVQZ-UHFFFAOYSA-N
MW102.11 g/mol
LogP0.95
Rot. Bonds1

About 1-ethoxy-3-fluoroprop-1-yne

1-ethoxy-3-fluoroprop-1-yne (PubChem CID 91124272) has the molecular formula C5H7FO and a molecular weight of 102.11 g/mol. Its IUPAC name is 1-ethoxy-3-fluoroprop-1-yne.

Molecular Properties

Compound Name1-ethoxy-3-fluoroprop-1-yne
PubChem CID91124272
Molecular FormulaC5H7FO
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Name1-ethoxy-3-fluoroprop-1-yne
SMILESCCOC#CCF
InChIInChI=1S/C5H7FO/c1-2-7-5-3-4-6/h2,4H2,1H3
InChIKeyFCQHYLUHWVVVQZ-UHFFFAOYSA-N
XLogP0.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-fluoroprop-1-yne?
The IUPAC name of 1-ethoxy-3-fluoroprop-1-yne (CID 91124272) is 1-ethoxy-3-fluoroprop-1-yne.
What is the SMILES notation for 1-ethoxy-3-fluoroprop-1-yne?
The canonical SMILES for 1-ethoxy-3-fluoroprop-1-yne is CCOC#CCF.
What is the InChIKey of 1-ethoxy-3-fluoroprop-1-yne?
The InChIKey is FCQHYLUHWVVVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO/c1-2-7-5-3-4-6/h2,4H2,1H3.
What are the key properties of 1-ethoxy-3-fluoroprop-1-yne?
1-ethoxy-3-fluoroprop-1-yne has a molecular weight of 102.11 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-fluoroprop-1-yne is sourced from PubChem (CID 91124272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).