2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid

C8H12F4O3S — CID 23082562

IUPAC2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H12F4O3S/c9-7(10,6-4-2-1-3-5-6)8(11,12)16(13,14)15/h6H,1-5H2,(H,13,14,15)
InChIKeyJOMWBIVWTQKQCA-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.68
Rot. Bonds3

About 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid

2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 23082562) has the molecular formula C8H12F4O3S and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID23082562
Molecular FormulaC8H12F4O3S
Molecular Weight264.24 g/mol
Exact Mass264.04
IUPAC Name2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C8H12F4O3S/c9-7(10,6-4-2-1-3-5-6)8(11,12)16(13,14)15/h6H,1-5H2,(H,13,14,15)
InChIKeyJOMWBIVWTQKQCA-UHFFFAOYSA-N
XLogP2.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.68
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 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid (CID 23082562) is 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is JOMWBIVWTQKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O3S/c9-7(10,6-4-2-1-3-5-6)8(11,12)16(13,14)15/h6H,1-5H2,(H,13,14,15).
What are the key properties of 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid?
2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 264.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 23082562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).