lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride

C2HF6LiO3S — CID 173320914

IUPAClithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C2F6O3S.Li.H/c3-1(4,5)2(6,7)12(9,10)11-8;;/q;+1;-1
InChIKeyWBCGKTPPUNMSGZ-UHFFFAOYSA-N
MW226.02 g/mol
LogP-1.51
Rot. Bonds2

About lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride

lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride (PubChem CID 173320914) has the molecular formula C2HF6LiO3S and a molecular weight of 226.02 g/mol. Its IUPAC name is lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride.

Molecular Properties

Compound Namelithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
PubChem CID173320914
Molecular FormulaC2HF6LiO3S
Molecular Weight226.02 g/mol
Exact Mass225.97
IUPAC Namelithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C2F6O3S.Li.H/c3-1(4,5)2(6,7)12(9,10)11-8;;/q;+1;-1
InChIKeyWBCGKTPPUNMSGZ-UHFFFAOYSA-N
XLogP-1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.02
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid
CID 91127376
bis(1,1,2,2,2-pentafluoroethylsulfonyloxy)borinic acid
CID 175605694
fluoro difluoro(iodo)methanesulfonate
CID 175456867
ethyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 19098750
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
CID 173339181
prop-2-ynyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 87128632
fluoro 1,1,2,2,6,6,6-heptafluorohexane-1-sulfonate;N-methylmethanamine
CID 174871702
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
fluoro 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;phenylsulfanylbenzene
CID 174437836
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032

Frequently Asked Questions

What is the IUPAC name of lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride?
The IUPAC name of lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride (CID 173320914) is lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride.
What is the SMILES notation for lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride?
The canonical SMILES for lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride is O=S(=O)(OF)C(F)(F)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride?
The InChIKey is WBCGKTPPUNMSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O3S.Li.H/c3-1(4,5)2(6,7)12(9,10)11-8;;/q;+1;-1.
What are the key properties of lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride?
lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride has a molecular weight of 226.02 g/mol, XLogP of -1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride is sourced from PubChem (CID 173320914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).