(E)-oct-1-ene-1-sulfonyl fluoride

C8H15FO2S — CID 14815683

IUPAC(E)-oct-1-ene-1-sulfonyl fluoride
SMILESCCCCCC/C=C/S(=O)(=O)F
InChIInChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h7-8H,2-6H2,1H3/b8-7+
InChIKeyYETCLDMXLQMZOL-BQYQJAHWSA-N
MW194.27 g/mol
LogP2.77
Rot. Bonds6

About (E)-oct-1-ene-1-sulfonyl fluoride

(E)-oct-1-ene-1-sulfonyl fluoride (PubChem CID 14815683) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is (E)-oct-1-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name(E)-oct-1-ene-1-sulfonyl fluoride
PubChem CID14815683
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name(E)-oct-1-ene-1-sulfonyl fluoride
SMILESCCCCCC/C=C/S(=O)(=O)F
InChIInChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h7-8H,2-6H2,1H3/b8-7+
InChIKeyYETCLDMXLQMZOL-BQYQJAHWSA-N
XLogP2.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-oct-1-ene-1-sulfonyl fluoride?
The IUPAC name of (E)-oct-1-ene-1-sulfonyl fluoride (CID 14815683) is (E)-oct-1-ene-1-sulfonyl fluoride.
What is the SMILES notation for (E)-oct-1-ene-1-sulfonyl fluoride?
The canonical SMILES for (E)-oct-1-ene-1-sulfonyl fluoride is CCCCCC/C=C/S(=O)(=O)F.
What is the InChIKey of (E)-oct-1-ene-1-sulfonyl fluoride?
The InChIKey is YETCLDMXLQMZOL-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-2-3-4-5-6-7-8-12(9,10)11/h7-8H,2-6H2,1H3/b8-7+.
What are the key properties of (E)-oct-1-ene-1-sulfonyl fluoride?
(E)-oct-1-ene-1-sulfonyl fluoride has a molecular weight of 194.27 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-oct-1-ene-1-sulfonyl fluoride is sourced from PubChem (CID 14815683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).