lithium fluoromethyl sulfate

CH2FLiO4S — CID 118676430

IUPAClithium fluoromethyl sulfate
SMILESO=S(=O)([O-])OCF.[Li+]
InChIInChI=1S/CH3FO4S.Li/c2-1-6-7(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1
InChIKeyUYBHKWRFCQNNGX-UHFFFAOYSA-M
MW136.03 g/mol
LogP-3.61
Rot. Bonds2

About lithium fluoromethyl sulfate

lithium fluoromethyl sulfate (PubChem CID 118676430) has the molecular formula CH2FLiO4S and a molecular weight of 136.03 g/mol. Its IUPAC name is lithium fluoromethyl sulfate.

Molecular Properties

Compound Namelithium fluoromethyl sulfate
PubChem CID118676430
Molecular FormulaCH2FLiO4S
Molecular Weight136.03 g/mol
Exact Mass135.98
IUPAC Namelithium fluoromethyl sulfate
SMILESO=S(=O)([O-])OCF.[Li+]
InChIInChI=1S/CH3FO4S.Li/c2-1-6-7(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1
InChIKeyUYBHKWRFCQNNGX-UHFFFAOYSA-M
XLogP-3.61
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.03
LogP ≤ 5-3.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dilithium;(2,2-difluoro-3-sulfonatooxypropyl) sulfate
CID 118676398
sodium hydroxymethyl sulfate
CID 23709001
ethyl sulfate;yttrium(3+)
CID 57361497
dysprosium(3+);ethyl sulfate
CID 57346753
cadmium(2+);ethyl sulfate
CID 57361489
ethyl sulfate;thulium(3+)
CID 25022214
lithium prop-2-enyl sulfate
CID 87403119
lithium 2-methylpropyl sulfate
CID 158872210
hydron;2-hydroxyethyl sulfate
CID 173263896
fluoromethyl ethenesulfonate
CID 90383884
ethyl sulfate;tetramethylphosphanium
CID 161050866
aluminum tris(prop-2-enyl sulfate)
CID 173336945

Frequently Asked Questions

What is the IUPAC name of lithium fluoromethyl sulfate?
The IUPAC name of lithium fluoromethyl sulfate (CID 118676430) is lithium fluoromethyl sulfate.
What is the SMILES notation for lithium fluoromethyl sulfate?
The canonical SMILES for lithium fluoromethyl sulfate is O=S(=O)([O-])OCF.[Li+].
What is the InChIKey of lithium fluoromethyl sulfate?
The InChIKey is UYBHKWRFCQNNGX-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3FO4S.Li/c2-1-6-7(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1.
What are the key properties of lithium fluoromethyl sulfate?
lithium fluoromethyl sulfate has a molecular weight of 136.03 g/mol, XLogP of -3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium fluoromethyl sulfate is sourced from PubChem (CID 118676430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).