2-fluorohexane-2-sulfonic acid

C6H13FO3S — CID 147161475

IUPAC2-fluorohexane-2-sulfonic acid
SMILESCCCCC(C)(F)S(=O)(=O)O
InChIInChI=1S/C6H13FO3S/c1-3-4-5-6(2,7)11(8,9)10/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyBVXVEJPZJRKYKH-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.75
Rot. Bonds4

About 2-fluorohexane-2-sulfonic acid

2-fluorohexane-2-sulfonic acid (PubChem CID 147161475) has the molecular formula C6H13FO3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-fluorohexane-2-sulfonic acid.

Molecular Properties

Compound Name2-fluorohexane-2-sulfonic acid
PubChem CID147161475
Molecular FormulaC6H13FO3S
Molecular Weight184.23 g/mol
Exact Mass184.06
IUPAC Name2-fluorohexane-2-sulfonic acid
SMILESCCCCC(C)(F)S(=O)(=O)O
InChIInChI=1S/C6H13FO3S/c1-3-4-5-6(2,7)11(8,9)10/h3-5H2,1-2H3,(H,8,9,10)
InChIKeyBVXVEJPZJRKYKH-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 139465938
12-fluorotriacontane-12-sulfonic acid;N-methylmethanamine
CID 175529094
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
2-hydroxyundecane-2-sulfonic acid
CID 24797633
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Frequently Asked Questions

What is the IUPAC name of 2-fluorohexane-2-sulfonic acid?
The IUPAC name of 2-fluorohexane-2-sulfonic acid (CID 147161475) is 2-fluorohexane-2-sulfonic acid.
What is the SMILES notation for 2-fluorohexane-2-sulfonic acid?
The canonical SMILES for 2-fluorohexane-2-sulfonic acid is CCCCC(C)(F)S(=O)(=O)O.
What is the InChIKey of 2-fluorohexane-2-sulfonic acid?
The InChIKey is BVXVEJPZJRKYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3S/c1-3-4-5-6(2,7)11(8,9)10/h3-5H2,1-2H3,(H,8,9,10).
What are the key properties of 2-fluorohexane-2-sulfonic acid?
2-fluorohexane-2-sulfonic acid has a molecular weight of 184.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohexane-2-sulfonic acid is sourced from PubChem (CID 147161475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).