cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate

C8H11F5O3S — CID 87803673

IUPACcyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O3S/c9-7(10,11)8(12,13)17(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyRHOGCIRBHPMWSE-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.82
Rot. Bonds3

About cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate

cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 87803673) has the molecular formula C8H11F5O3S and a molecular weight of 282.23 g/mol. Its IUPAC name is cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Namecyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID87803673
Molecular FormulaC8H11F5O3S
Molecular Weight282.23 g/mol
Exact Mass282.03
IUPAC Namecyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OC1CCCCC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H11F5O3S/c9-7(10,11)8(12,13)17(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyRHOGCIRBHPMWSE-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate (CID 87803673) is cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)(OC1CCCCC1)C(F)(F)C(F)(F)F.
What is the InChIKey of cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is RHOGCIRBHPMWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5O3S/c9-7(10,11)8(12,13)17(14,15)16-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate?
cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 282.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 87803673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).