cyclohexyl 1-fluoroethanesulfonate

C8H15FO3S — CID 174891793

IUPACcyclohexyl 1-fluoroethanesulfonate
SMILESCC(F)S(=O)(=O)OC1CCCCC1
InChIInChI=1S/C8H15FO3S/c1-7(9)13(10,11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyBOIIXECNGYULLZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.98
Rot. Bonds3

About cyclohexyl 1-fluoroethanesulfonate

cyclohexyl 1-fluoroethanesulfonate (PubChem CID 174891793) has the molecular formula C8H15FO3S and a molecular weight of 210.27 g/mol. Its IUPAC name is cyclohexyl 1-fluoroethanesulfonate.

Molecular Properties

Compound Namecyclohexyl 1-fluoroethanesulfonate
PubChem CID174891793
Molecular FormulaC8H15FO3S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Namecyclohexyl 1-fluoroethanesulfonate
SMILESCC(F)S(=O)(=O)OC1CCCCC1
InChIInChI=1S/C8H15FO3S/c1-7(9)13(10,11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyBOIIXECNGYULLZ-UHFFFAOYSA-N
XLogP1.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-fluoroethanesulfonate?
The IUPAC name of cyclohexyl 1-fluoroethanesulfonate (CID 174891793) is cyclohexyl 1-fluoroethanesulfonate.
What is the SMILES notation for cyclohexyl 1-fluoroethanesulfonate?
The canonical SMILES for cyclohexyl 1-fluoroethanesulfonate is CC(F)S(=O)(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 1-fluoroethanesulfonate?
The InChIKey is BOIIXECNGYULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO3S/c1-7(9)13(10,11)12-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of cyclohexyl 1-fluoroethanesulfonate?
cyclohexyl 1-fluoroethanesulfonate has a molecular weight of 210.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-fluoroethanesulfonate is sourced from PubChem (CID 174891793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).