but-3-enoyl fluoride

C4H5FO — CID 11073342

IUPACbut-3-enoyl fluoride
SMILESC=CCC(=O)F
InChIInChI=1S/C4H5FO/c1-2-3-4(5)6/h2H,1,3H2
InChIKeyMTOBUBGOLNKZLO-UHFFFAOYSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds2

About but-3-enoyl fluoride

but-3-enoyl fluoride (PubChem CID 11073342) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is but-3-enoyl fluoride.

Molecular Properties

Compound Namebut-3-enoyl fluoride
PubChem CID11073342
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Namebut-3-enoyl fluoride
SMILESC=CCC(=O)F
InChIInChI=1S/C4H5FO/c1-2-3-4(5)6/h2H,1,3H2
InChIKeyMTOBUBGOLNKZLO-UHFFFAOYSA-N
XLogP1.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-3-enoyl fluoride?
The IUPAC name of but-3-enoyl fluoride (CID 11073342) is but-3-enoyl fluoride.
What is the SMILES notation for but-3-enoyl fluoride?
The canonical SMILES for but-3-enoyl fluoride is C=CCC(=O)F.
What is the InChIKey of but-3-enoyl fluoride?
The InChIKey is MTOBUBGOLNKZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-2-3-4(5)6/h2H,1,3H2.
What are the key properties of but-3-enoyl fluoride?
but-3-enoyl fluoride has a molecular weight of 88.08 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enoyl fluoride is sourced from PubChem (CID 11073342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).