5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid

C11H16F6O3S — CID 58961852

IUPAC5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCC1CCCCC1
InChIInChI=1S/C11H16F6O3S/c12-9(13,7-6-8-4-2-1-3-5-8)10(14,15)11(16,17)21(18,19)20/h8H,1-7H2,(H,18,19,20)
InChIKeyRBFSPRNTWMBTHK-UHFFFAOYSA-N
MW342.30 g/mol
LogP4.10
Rot. Bonds6

About 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid

5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid (PubChem CID 58961852) has the molecular formula C11H16F6O3S and a molecular weight of 342.30 g/mol. Its IUPAC name is 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid.

Molecular Properties

Compound Name5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid
PubChem CID58961852
Molecular FormulaC11H16F6O3S
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Name5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCC1CCCCC1
InChIInChI=1S/C11H16F6O3S/c12-9(13,7-6-8-4-2-1-3-5-8)10(14,15)11(16,17)21(18,19)20/h8H,1-7H2,(H,18,19,20)
InChIKeyRBFSPRNTWMBTHK-UHFFFAOYSA-N
XLogP4.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid?
The IUPAC name of 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid (CID 58961852) is 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid.
What is the SMILES notation for 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid?
The canonical SMILES for 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)CCC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid?
The InChIKey is RBFSPRNTWMBTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O3S/c12-9(13,7-6-8-4-2-1-3-5-8)10(14,15)11(16,17)21(18,19)20/h8H,1-7H2,(H,18,19,20).
What are the key properties of 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid?
5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid has a molecular weight of 342.30 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,1,2,2,3,3-hexafluoropentane-1-sulfonic acid is sourced from PubChem (CID 58961852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).