but-3-ene-2-sulfonyl fluoride

C4H7FO2S — CID 174353876

IUPACbut-3-ene-2-sulfonyl fluoride
SMILESC=CC(C)S(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3
InChIKeyNYAYVCGCONCEDA-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.86
Rot. Bonds2

About but-3-ene-2-sulfonyl fluoride

but-3-ene-2-sulfonyl fluoride (PubChem CID 174353876) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is but-3-ene-2-sulfonyl fluoride.

Molecular Properties

Compound Namebut-3-ene-2-sulfonyl fluoride
PubChem CID174353876
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Namebut-3-ene-2-sulfonyl fluoride
SMILESC=CC(C)S(=O)(=O)F
InChIInChI=1S/C4H7FO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3
InChIKeyNYAYVCGCONCEDA-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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Related Compounds

2-but-3-en-2-ylsulfonylbutane
CID 12672765
2-ethenylsulfonylpropanal
CID 173389769
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
(3S)-2,3-bis(ethenylsulfonyl)butane
CID 159569958
2,3-bis(ethenylsulfonyl)butane
CID 158758752
bis(1-ethenylsulfonylethene);methanol
CID 19939004
3-methylbut-1-ene;hydrobromide
CID 158395600
3,4-dimethylhexa-1,5-diene
CID 521244
3-(1-ethoxyethoxy)prop-1-ene;sulfuryl difluoride
CID 161465495
5-but-3-en-2-ylsulfonyl-2-fluorobenzoic acid
CID 55067577
1-fluoroprop-2-ene-1-sulfonyl chloride
CID 87742271
3-fluoro-4-methylpent-1-ene
CID 154549963

Frequently Asked Questions

What is the IUPAC name of but-3-ene-2-sulfonyl fluoride?
The IUPAC name of but-3-ene-2-sulfonyl fluoride (CID 174353876) is but-3-ene-2-sulfonyl fluoride.
What is the SMILES notation for but-3-ene-2-sulfonyl fluoride?
The canonical SMILES for but-3-ene-2-sulfonyl fluoride is C=CC(C)S(=O)(=O)F.
What is the InChIKey of but-3-ene-2-sulfonyl fluoride?
The InChIKey is NYAYVCGCONCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-3-4(2)8(5,6)7/h3-4H,1H2,2H3.
What are the key properties of but-3-ene-2-sulfonyl fluoride?
but-3-ene-2-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-3-ene-2-sulfonyl fluoride is sourced from PubChem (CID 174353876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).