but-2-ene-1-sulfonyl fluoride

C4H7FO2S — CID 176905188

IUPACbut-2-ene-1-sulfonyl fluoride
SMILESCC=CCS(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3
InChIKeyVJKMTFZDORCZDZ-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.86
Rot. Bonds2

About but-2-ene-1-sulfonyl fluoride

but-2-ene-1-sulfonyl fluoride (PubChem CID 176905188) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is but-2-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Namebut-2-ene-1-sulfonyl fluoride
PubChem CID176905188
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Namebut-2-ene-1-sulfonyl fluoride
SMILESCC=CCS(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3
InChIKeyVJKMTFZDORCZDZ-UHFFFAOYSA-N
XLogP0.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of but-2-ene-1-sulfonyl fluoride?
The IUPAC name of but-2-ene-1-sulfonyl fluoride (CID 176905188) is but-2-ene-1-sulfonyl fluoride.
What is the SMILES notation for but-2-ene-1-sulfonyl fluoride?
The canonical SMILES for but-2-ene-1-sulfonyl fluoride is CC=CCS(=O)(=O)F.
What is the InChIKey of but-2-ene-1-sulfonyl fluoride?
The InChIKey is VJKMTFZDORCZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-2-3-4-8(5,6)7/h2-3H,4H2,1H3.
What are the key properties of but-2-ene-1-sulfonyl fluoride?
but-2-ene-1-sulfonyl fluoride has a molecular weight of 138.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-ene-1-sulfonyl fluoride is sourced from PubChem (CID 176905188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).