4-fluorobut-1-yne

C4H5F — CID 23025173

IUPAC4-fluorobut-1-yne
SMILESC#CCCF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h1H,3-4H2
InChIKeyCQFCDAVYXPMTRE-UHFFFAOYSA-N
MW72.08 g/mol
LogP0.98
Rot. Bonds1

About 4-fluorobut-1-yne

4-fluorobut-1-yne (PubChem CID 23025173) has the molecular formula C4H5F and a molecular weight of 72.08 g/mol. Its IUPAC name is 4-fluorobut-1-yne.

Molecular Properties

Compound Name4-fluorobut-1-yne
PubChem CID23025173
Molecular FormulaC4H5F
Molecular Weight72.08 g/mol
Exact Mass72.04
IUPAC Name4-fluorobut-1-yne
SMILESC#CCCF
InChIInChI=1S/C4H5F/c1-2-3-4-5/h1H,3-4H2
InChIKeyCQFCDAVYXPMTRE-UHFFFAOYSA-N
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-fluorobut-1-yne?
The IUPAC name of 4-fluorobut-1-yne (CID 23025173) is 4-fluorobut-1-yne.
What is the SMILES notation for 4-fluorobut-1-yne?
The canonical SMILES for 4-fluorobut-1-yne is C#CCCF.
What is the InChIKey of 4-fluorobut-1-yne?
The InChIKey is CQFCDAVYXPMTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F/c1-2-3-4-5/h1H,3-4H2.
What are the key properties of 4-fluorobut-1-yne?
4-fluorobut-1-yne has a molecular weight of 72.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-1-yne is sourced from PubChem (CID 23025173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).