cyclohexen-1-ol;trifluoromethanesulfonic acid

C7H11F3O4S — CID 86640233

IUPACcyclohexen-1-ol;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.OC1=CCCCC1
InChIInChI=1S/C6H10O.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h4,7H,1-3,5H2;(H,5,6,7)
InChIKeyAISXBURRVJBTAX-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.40
Rot. Bonds

About cyclohexen-1-ol;trifluoromethanesulfonic acid

cyclohexen-1-ol;trifluoromethanesulfonic acid (PubChem CID 86640233) has the molecular formula C7H11F3O4S and a molecular weight of 248.22 g/mol. Its IUPAC name is cyclohexen-1-ol;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namecyclohexen-1-ol;trifluoromethanesulfonic acid
PubChem CID86640233
Molecular FormulaC7H11F3O4S
Molecular Weight248.22 g/mol
Exact Mass248.03
IUPAC Namecyclohexen-1-ol;trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.OC1=CCCCC1
InChIInChI=1S/C6H10O.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h4,7H,1-3,5H2;(H,5,6,7)
InChIKeyAISXBURRVJBTAX-UHFFFAOYSA-N
XLogP2.40
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ol;trifluoromethanesulfonic acid?
The IUPAC name of cyclohexen-1-ol;trifluoromethanesulfonic acid (CID 86640233) is cyclohexen-1-ol;trifluoromethanesulfonic acid.
What is the SMILES notation for cyclohexen-1-ol;trifluoromethanesulfonic acid?
The canonical SMILES for cyclohexen-1-ol;trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ol;trifluoromethanesulfonic acid?
The InChIKey is AISXBURRVJBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.CHF3O3S/c7-6-4-2-1-3-5-6;2-1(3,4)8(5,6)7/h4,7H,1-3,5H2;(H,5,6,7).
What are the key properties of cyclohexen-1-ol;trifluoromethanesulfonic acid?
cyclohexen-1-ol;trifluoromethanesulfonic acid has a molecular weight of 248.22 g/mol, XLogP of 2.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ol;trifluoromethanesulfonic acid is sourced from PubChem (CID 86640233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).