1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid

C6H10F4O4S — CID 58036989

IUPAC1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C6H10F4O4S/c7-5(8,3-1-2-4-11)6(9,10)15(12,13)14/h11H,1-4H2,(H,12,13,14)
InChIKeyRRKUROUSNZOQSN-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.26
Rot. Bonds6

About 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid

1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid (PubChem CID 58036989) has the molecular formula C6H10F4O4S and a molecular weight of 254.20 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid
PubChem CID58036989
Molecular FormulaC6H10F4O4S
Molecular Weight254.20 g/mol
Exact Mass254.02
IUPAC Name1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C6H10F4O4S/c7-5(8,3-1-2-4-11)6(9,10)15(12,13)14/h11H,1-4H2,(H,12,13,14)
InChIKeyRRKUROUSNZOQSN-UHFFFAOYSA-N
XLogP1.26
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid (CID 58036989) is 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid?
The InChIKey is RRKUROUSNZOQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O4S/c7-5(8,3-1-2-4-11)6(9,10)15(12,13)14/h11H,1-4H2,(H,12,13,14).
What are the key properties of 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid?
1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid has a molecular weight of 254.20 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-6-hydroxyhexane-1-sulfonic acid is sourced from PubChem (CID 58036989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).