oct-7-ene-1-sulfonyl fluoride

C8H15FO2S — CID 88695125

IUPACoct-7-ene-1-sulfonyl fluoride
SMILESC=CCCCCCCS(=O)(=O)F
InChIInChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2
InChIKeyKAAKGYAODWPWMI-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.42
Rot. Bonds7

About oct-7-ene-1-sulfonyl fluoride

oct-7-ene-1-sulfonyl fluoride (PubChem CID 88695125) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is oct-7-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Nameoct-7-ene-1-sulfonyl fluoride
PubChem CID88695125
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Nameoct-7-ene-1-sulfonyl fluoride
SMILESC=CCCCCCCS(=O)(=O)F
InChIInChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2
InChIKeyKAAKGYAODWPWMI-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oct-7-ene-1-sulfonyl fluoride?
The IUPAC name of oct-7-ene-1-sulfonyl fluoride (CID 88695125) is oct-7-ene-1-sulfonyl fluoride.
What is the SMILES notation for oct-7-ene-1-sulfonyl fluoride?
The canonical SMILES for oct-7-ene-1-sulfonyl fluoride is C=CCCCCCCS(=O)(=O)F.
What is the InChIKey of oct-7-ene-1-sulfonyl fluoride?
The InChIKey is KAAKGYAODWPWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2.
What are the key properties of oct-7-ene-1-sulfonyl fluoride?
oct-7-ene-1-sulfonyl fluoride has a molecular weight of 194.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oct-7-ene-1-sulfonyl fluoride is sourced from PubChem (CID 88695125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).