3-fluoro-1-methoxyprop-1-yne

C4H5FO — CID 91374211

IUPAC3-fluoro-1-methoxyprop-1-yne
SMILESCOC#CCF
InChIInChI=1S/C4H5FO/c1-6-4-2-3-5/h3H2,1H3
InChIKeyVXLWMRFCRPJYNS-UHFFFAOYSA-N
MW88.08 g/mol
LogP0.56
Rot. Bonds

About 3-fluoro-1-methoxyprop-1-yne

3-fluoro-1-methoxyprop-1-yne (PubChem CID 91374211) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 3-fluoro-1-methoxyprop-1-yne.

Molecular Properties

Compound Name3-fluoro-1-methoxyprop-1-yne
PubChem CID91374211
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name3-fluoro-1-methoxyprop-1-yne
SMILESCOC#CCF
InChIInChI=1S/C4H5FO/c1-6-4-2-3-5/h3H2,1H3
InChIKeyVXLWMRFCRPJYNS-UHFFFAOYSA-N
XLogP0.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.56
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 3-fluoro-1-methoxyprop-1-yne?
The IUPAC name of 3-fluoro-1-methoxyprop-1-yne (CID 91374211) is 3-fluoro-1-methoxyprop-1-yne.
What is the SMILES notation for 3-fluoro-1-methoxyprop-1-yne?
The canonical SMILES for 3-fluoro-1-methoxyprop-1-yne is COC#CCF.
What is the InChIKey of 3-fluoro-1-methoxyprop-1-yne?
The InChIKey is VXLWMRFCRPJYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-6-4-2-3-5/h3H2,1H3.
What are the key properties of 3-fluoro-1-methoxyprop-1-yne?
3-fluoro-1-methoxyprop-1-yne has a molecular weight of 88.08 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxyprop-1-yne is sourced from PubChem (CID 91374211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).