2-fluoropentane-2-sulfonic acid

C5H11FO3S — CID 22718866

IUPAC2-fluoropentane-2-sulfonic acid
SMILESCCCC(C)(F)S(=O)(=O)O
InChIInChI=1S/C5H11FO3S/c1-3-4-5(2,6)10(7,8)9/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyRJAJJAQFZMMVET-UHFFFAOYSA-N
MW170.20 g/mol
LogP1.36
Rot. Bonds3

About 2-fluoropentane-2-sulfonic acid

2-fluoropentane-2-sulfonic acid (PubChem CID 22718866) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 2-fluoropentane-2-sulfonic acid.

Molecular Properties

Compound Name2-fluoropentane-2-sulfonic acid
PubChem CID22718866
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name2-fluoropentane-2-sulfonic acid
SMILESCCCC(C)(F)S(=O)(=O)O
InChIInChI=1S/C5H11FO3S/c1-3-4-5(2,6)10(7,8)9/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyRJAJJAQFZMMVET-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 51.36
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

1-Fluorobutane-1-sulfonic acid
CID 19884305
5-Fluoropentane-1-sulfonic acid
CID 20976711
2-Fluoroheptane-2-sulfonic acid
CID 21259746
1,1,1-Trifluoropentane-2-sulfonic acid
CID 21946920
1,1-Difluorobutane-1-sulfonic acid
CID 21946970
1,1,2-Trifluoroheptane-1-sulfonic acid
CID 21964724
1,1,2-Trifluorohexane-1-sulfonic acid
CID 21964757
1,1,2-Trifluoropentane-1-sulfonic acid
CID 21964935
1-Fluoroheptane-1-sulfonic acid
CID 22718857
1-Fluorohexane-1-sulfonic acid
CID 22718864
3-Fluoropentane-1-sulfonic acid
CID 53741315
1,1-Difluoropentane-1-sulfonic acid
CID 54097212

Frequently Asked Questions

What is the IUPAC name of 2-fluoropentane-2-sulfonic acid?
The IUPAC name of 2-fluoropentane-2-sulfonic acid (CID 22718866) is 2-fluoropentane-2-sulfonic acid.
What is the SMILES notation for 2-fluoropentane-2-sulfonic acid?
The canonical SMILES for 2-fluoropentane-2-sulfonic acid is CCCC(C)(F)S(=O)(=O)O.
What is the InChIKey of 2-fluoropentane-2-sulfonic acid?
The InChIKey is RJAJJAQFZMMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c1-3-4-5(2,6)10(7,8)9/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 2-fluoropentane-2-sulfonic acid?
2-fluoropentane-2-sulfonic acid has a molecular weight of 170.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropentane-2-sulfonic acid is sourced from PubChem (CID 22718866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).