methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid

C5H5F9O4S — CID 144756171

IUPACmethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
SMILESCO.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.CH4O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2/h(H,14,15,16);2H,1H3
InChIKeyQHMXMWLMLHNONP-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.91
Rot. Bonds3

About methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid

methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid (PubChem CID 144756171) has the molecular formula C5H5F9O4S and a molecular weight of 332.14 g/mol. Its IUPAC name is methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid.

Molecular Properties

Compound Namemethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
PubChem CID144756171
Molecular FormulaC5H5F9O4S
Molecular Weight332.14 g/mol
Exact Mass331.98
IUPAC Namemethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
SMILESCO.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF9O3S.CH4O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2/h(H,14,15,16);2H,1H3
InChIKeyQHMXMWLMLHNONP-UHFFFAOYSA-N
XLogP1.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
methylsulfanylmethane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 162540843
N-methylmethanamine;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonic acid
CID 171930141
gallane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 173196655
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
sodium perfluoroheptanesulfonate
CID 87558139
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;ytterbium
CID 87251349
CID 87168941
CID 87168941
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;hydroiodide
CID 171922713
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
ethane-1,1-diol;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid)
CID 87127947

Frequently Asked Questions

What is the IUPAC name of methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The IUPAC name of methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid (CID 144756171) is methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid.
What is the SMILES notation for methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The canonical SMILES for methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid is CO.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
The InChIKey is QHMXMWLMLHNONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF9O3S.CH4O/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;1-2/h(H,14,15,16);2H,1H3.
What are the key properties of methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid?
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid has a molecular weight of 332.14 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid is sourced from PubChem (CID 144756171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).