sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride

C4H10FNaO3S — CID 174840807

IUPACsodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride
SMILESO=S(O)C(F)CCCO.[H-].[Na+]
InChIInChI=1S/C4H9FO3S.Na.H/c5-4(9(7)8)2-1-3-6;;/h4,6H,1-3H2,(H,7,8);;/q;+1;-1
InChIKeyLVNQWYTUUDMBGG-UHFFFAOYSA-N
MW180.18 g/mol
LogP-2.61
Rot. Bonds4

About sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride

sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride (PubChem CID 174840807) has the molecular formula C4H10FNaO3S and a molecular weight of 180.18 g/mol. Its IUPAC name is sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride.

Molecular Properties

Compound Namesodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride
PubChem CID174840807
Molecular FormulaC4H10FNaO3S
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Namesodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride
SMILESO=S(O)C(F)CCCO.[H-].[Na+]
InChIInChI=1S/C4H9FO3S.Na.H/c5-4(9(7)8)2-1-3-6;;/h4,6H,1-3H2,(H,7,8);;/q;+1;-1
InChIKeyLVNQWYTUUDMBGG-UHFFFAOYSA-N
XLogP-2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-2.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-hydroxy-5-methylhexane-3-sulfinic acid
CID 175280956
difluoromethanesulfinic acid;zinc
CID 140809876
3-(sulfonylamino)hexan-1-ol
CID 171478124
butan-1-ol;sulfurous acid
CID 88820964
1-fluoropropane-1,3-diol
CID 91101835
sodium;ethane-1,2-diol;hydrogen sulfite
CID 23678211
sodium;hydride;hydroxymethanesulfinic acid;dihydrate
CID 173024972
2,2-difluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 103513967
1-fluoroheptane-1,7-diol
CID 174774805
4-aminopentan-1-ol;hydrochloride
CID 75212867
(3R)-3-ethylhexane-1,6-diol
CID 118889856
3-aminohexane-1,6-diol;azane
CID 173455648

Frequently Asked Questions

What is the IUPAC name of sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride?
The IUPAC name of sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride (CID 174840807) is sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride.
What is the SMILES notation for sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride?
The canonical SMILES for sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride is O=S(O)C(F)CCCO.[H-].[Na+].
What is the InChIKey of sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride?
The InChIKey is LVNQWYTUUDMBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S.Na.H/c5-4(9(7)8)2-1-3-6;;/h4,6H,1-3H2,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride?
sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride has a molecular weight of 180.18 g/mol, XLogP of -2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride is sourced from PubChem (CID 174840807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).