cyclohexene-1-sulfonyl fluoride

C6H9FO2S — CID 164671094

IUPACcyclohexene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CCCCC1
InChIInChI=1S/C6H9FO2S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyZHKFBIBKFAIPHE-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.74
Rot. Bonds1

About cyclohexene-1-sulfonyl fluoride

cyclohexene-1-sulfonyl fluoride (PubChem CID 164671094) has the molecular formula C6H9FO2S and a molecular weight of 164.20 g/mol. Its IUPAC name is cyclohexene-1-sulfonyl fluoride.

Molecular Properties

Compound Namecyclohexene-1-sulfonyl fluoride
PubChem CID164671094
Molecular FormulaC6H9FO2S
Molecular Weight164.20 g/mol
Exact Mass164.03
IUPAC Namecyclohexene-1-sulfonyl fluoride
SMILESO=S(=O)(F)C1=CCCCC1
InChIInChI=1S/C6H9FO2S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyZHKFBIBKFAIPHE-UHFFFAOYSA-N
XLogP1.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexene-1-sulfonyl fluoride?
The IUPAC name of cyclohexene-1-sulfonyl fluoride (CID 164671094) is cyclohexene-1-sulfonyl fluoride.
What is the SMILES notation for cyclohexene-1-sulfonyl fluoride?
The canonical SMILES for cyclohexene-1-sulfonyl fluoride is O=S(=O)(F)C1=CCCCC1.
What is the InChIKey of cyclohexene-1-sulfonyl fluoride?
The InChIKey is ZHKFBIBKFAIPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2S/c7-10(8,9)6-4-2-1-3-5-6/h4H,1-3,5H2.
What are the key properties of cyclohexene-1-sulfonyl fluoride?
cyclohexene-1-sulfonyl fluoride has a molecular weight of 164.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene-1-sulfonyl fluoride is sourced from PubChem (CID 164671094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).