sodium;4-fluorobutane-1-sulfonic acid;hydride

C4H10FNaO3S — CID 173211362

IUPACsodium;4-fluorobutane-1-sulfonic acid;hydride
SMILESO=S(=O)(O)CCCCF.[H-].[Na+]
InChIInChI=1S/C4H9FO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyJRJBSMGVSKZZMY-UHFFFAOYSA-N
MW180.18 g/mol
LogP-2.26
Rot. Bonds4

About sodium;4-fluorobutane-1-sulfonic acid;hydride

sodium;4-fluorobutane-1-sulfonic acid;hydride (PubChem CID 173211362) has the molecular formula C4H10FNaO3S and a molecular weight of 180.18 g/mol. Its IUPAC name is sodium;4-fluorobutane-1-sulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-fluorobutane-1-sulfonic acid;hydride
PubChem CID173211362
Molecular FormulaC4H10FNaO3S
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Namesodium;4-fluorobutane-1-sulfonic acid;hydride
SMILESO=S(=O)(O)CCCCF.[H-].[Na+]
InChIInChI=1S/C4H9FO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1
InChIKeyJRJBSMGVSKZZMY-UHFFFAOYSA-N
XLogP-2.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-2.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

12-fluorododecane-1-sulfonic acid
CID 122480998
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
strontium;3-aminopropane-1-sulfonic acid;hydride
CID 174544625
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
CID 88853027
CID 88853027
magnesium;hydride;pentane-1-sulfonic acid
CID 174919972

Frequently Asked Questions

What is the IUPAC name of sodium;4-fluorobutane-1-sulfonic acid;hydride?
The IUPAC name of sodium;4-fluorobutane-1-sulfonic acid;hydride (CID 173211362) is sodium;4-fluorobutane-1-sulfonic acid;hydride.
What is the SMILES notation for sodium;4-fluorobutane-1-sulfonic acid;hydride?
The canonical SMILES for sodium;4-fluorobutane-1-sulfonic acid;hydride is O=S(=O)(O)CCCCF.[H-].[Na+].
What is the InChIKey of sodium;4-fluorobutane-1-sulfonic acid;hydride?
The InChIKey is JRJBSMGVSKZZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S.Na.H/c5-3-1-2-4-9(6,7)8;;/h1-4H2,(H,6,7,8);;/q;+1;-1.
What are the key properties of sodium;4-fluorobutane-1-sulfonic acid;hydride?
sodium;4-fluorobutane-1-sulfonic acid;hydride has a molecular weight of 180.18 g/mol, XLogP of -2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-fluorobutane-1-sulfonic acid;hydride is sourced from PubChem (CID 173211362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).