lithium;ethyl trifluoromethoxy sulfate;hydride

C3H6F3LiO5S — CID 174759625

IUPAClithium;ethyl trifluoromethoxy sulfate;hydride
SMILESCCOS(=O)(=O)OOC(F)(F)F.[H-].[Li+]
InChIInChI=1S/C3H5F3O5S.Li.H/c1-2-9-12(7,8)11-10-3(4,5)6;;/h2H2,1H3;;/q;+1;-1
InChIKeyVIZTXQQKHNRNKV-UHFFFAOYSA-N
MW218.08 g/mol
LogP-2.15
Rot. Bonds4

About lithium;ethyl trifluoromethoxy sulfate;hydride

lithium;ethyl trifluoromethoxy sulfate;hydride (PubChem CID 174759625) has the molecular formula C3H6F3LiO5S and a molecular weight of 218.08 g/mol. Its IUPAC name is lithium;ethyl trifluoromethoxy sulfate;hydride.

Molecular Properties

Compound Namelithium;ethyl trifluoromethoxy sulfate;hydride
PubChem CID174759625
Molecular FormulaC3H6F3LiO5S
Molecular Weight218.08 g/mol
Exact Mass218.00
IUPAC Namelithium;ethyl trifluoromethoxy sulfate;hydride
SMILESCCOS(=O)(=O)OOC(F)(F)F.[H-].[Li+]
InChIInChI=1S/C3H5F3O5S.Li.H/c1-2-9-12(7,8)11-10-3(4,5)6;;/h2H2,1H3;;/q;+1;-1
InChIKeyVIZTXQQKHNRNKV-UHFFFAOYSA-N
XLogP-2.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 5-2.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

lithium;difluoromethoxy ethyl sulfate;hydride
CID 174759627
CID 159839688
CID 159839688
ethyl fluoro sulfate
CID 88599587
diethyl sulfate;iodoethane
CID 157176238
diethyl sulfate;sulfuric acid
CID 158458335
2-ethoxyethoxy ethyl sulfate
CID 23115694
ethoxysulfonyl ethaneperoxoate
CID 168748485
lithium;ethoxysulfonyl methanesulfonate;hydride
CID 174759292
ethyl 1,1,2,2,2-pentafluoroethanesulfonate
CID 19098750
disodium;4-ethoxysulfonyloxy-4-oxobutanoic acid;hydride
CID 174552267
ethyl hexoxy sulfate
CID 174871914
sodium;ethyl prop-2-enyl sulfate;hydride
CID 173210575

Frequently Asked Questions

What is the IUPAC name of lithium;ethyl trifluoromethoxy sulfate;hydride?
The IUPAC name of lithium;ethyl trifluoromethoxy sulfate;hydride (CID 174759625) is lithium;ethyl trifluoromethoxy sulfate;hydride.
What is the SMILES notation for lithium;ethyl trifluoromethoxy sulfate;hydride?
The canonical SMILES for lithium;ethyl trifluoromethoxy sulfate;hydride is CCOS(=O)(=O)OOC(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;ethyl trifluoromethoxy sulfate;hydride?
The InChIKey is VIZTXQQKHNRNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O5S.Li.H/c1-2-9-12(7,8)11-10-3(4,5)6;;/h2H2,1H3;;/q;+1;-1.
What are the key properties of lithium;ethyl trifluoromethoxy sulfate;hydride?
lithium;ethyl trifluoromethoxy sulfate;hydride has a molecular weight of 218.08 g/mol, XLogP of -2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;ethyl trifluoromethoxy sulfate;hydride is sourced from PubChem (CID 174759625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).