calcium;fluoro butane-1-sulfonate;hydride

C4H11CaFO3S — CID 175424220

IUPACcalcium;fluoro butane-1-sulfonate;hydride
SMILESCCCCS(=O)(=O)OF.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H9FO3S.Ca.2H/c1-2-3-4-9(6,7)8-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyREEILHCWWBUBFZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.86
Rot. Bonds4

About calcium;fluoro butane-1-sulfonate;hydride

calcium;fluoro butane-1-sulfonate;hydride (PubChem CID 175424220) has the molecular formula C4H11CaFO3S and a molecular weight of 198.27 g/mol. Its IUPAC name is calcium;fluoro butane-1-sulfonate;hydride.

Molecular Properties

Compound Namecalcium;fluoro butane-1-sulfonate;hydride
PubChem CID175424220
Molecular FormulaC4H11CaFO3S
Molecular Weight198.27 g/mol
Exact Mass198.00
IUPAC Namecalcium;fluoro butane-1-sulfonate;hydride
SMILESCCCCS(=O)(=O)OF.[Ca+2].[H-].[H-]
InChIInChI=1S/C4H9FO3S.Ca.2H/c1-2-3-4-9(6,7)8-5;;;/h2-4H2,1H3;;;/q;+2;2*-1
InChIKeyREEILHCWWBUBFZ-UHFFFAOYSA-N
XLogP0.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;fluoro nonane-1-sulfonate;hydride
CID 175529463
fluoro octane-1-sulfonate;zirconium
CID 175196316
fluoro octane-1-sulfonate;tetrapropylazanium
CID 174418186
fluoro octane-1-sulfonate;octadecan-1-amine
CID 174821915
fluoro undecane-1-sulfonate;pyridine
CID 175161827
trifluoromethyl butane-1-sulfonate
CID 87163996
azane;fluoro 4,4,4-trifluorobutane-1-sulfonate
CID 175312917
propyl butane-1-sulfonate
CID 12843900
1-O-fluoro 4-O-sulfanyl butane-1,4-disulfonate
CID 140616680
fluoro octane-1-sulfonate;1-methylsulfanylheptan-2-one
CID 174410132
calcium;1-butylsulfonylbutane;dichloride
CID 174621632
4-butylsulfonyloxybut-2-enyl butane-1-sulfonate
CID 134583948

Frequently Asked Questions

What is the IUPAC name of calcium;fluoro butane-1-sulfonate;hydride?
The IUPAC name of calcium;fluoro butane-1-sulfonate;hydride (CID 175424220) is calcium;fluoro butane-1-sulfonate;hydride.
What is the SMILES notation for calcium;fluoro butane-1-sulfonate;hydride?
The canonical SMILES for calcium;fluoro butane-1-sulfonate;hydride is CCCCS(=O)(=O)OF.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;fluoro butane-1-sulfonate;hydride?
The InChIKey is REEILHCWWBUBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S.Ca.2H/c1-2-3-4-9(6,7)8-5;;;/h2-4H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;fluoro butane-1-sulfonate;hydride?
calcium;fluoro butane-1-sulfonate;hydride has a molecular weight of 198.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;fluoro butane-1-sulfonate;hydride is sourced from PubChem (CID 175424220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).