lithium;difluoromethoxy ethyl sulfate;hydride

C3H7F2LiO5S — CID 174759627

IUPAClithium;difluoromethoxy ethyl sulfate;hydride
SMILESCCOS(=O)(=O)OOC(F)F.[H-].[Li+]
InChIInChI=1S/C3H6F2O5S.Li.H/c1-2-8-11(6,7)10-9-3(4)5;;/h3H,2H2,1H3;;/q;+1;-1
InChIKeyUDSDTCFOCHSGTJ-UHFFFAOYSA-N
MW200.09 g/mol
LogP-2.44
Rot. Bonds5

About lithium;difluoromethoxy ethyl sulfate;hydride

lithium;difluoromethoxy ethyl sulfate;hydride (PubChem CID 174759627) has the molecular formula C3H7F2LiO5S and a molecular weight of 200.09 g/mol. Its IUPAC name is lithium;difluoromethoxy ethyl sulfate;hydride.

Molecular Properties

Compound Namelithium;difluoromethoxy ethyl sulfate;hydride
PubChem CID174759627
Molecular FormulaC3H7F2LiO5S
Molecular Weight200.09 g/mol
Exact Mass200.01
IUPAC Namelithium;difluoromethoxy ethyl sulfate;hydride
SMILESCCOS(=O)(=O)OOC(F)F.[H-].[Li+]
InChIInChI=1S/C3H6F2O5S.Li.H/c1-2-8-11(6,7)10-9-3(4)5;;/h3H,2H2,1H3;;/q;+1;-1
InChIKeyUDSDTCFOCHSGTJ-UHFFFAOYSA-N
XLogP-2.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.09
LogP ≤ 5-2.44
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;ethyl trifluoromethoxy sulfate;hydride
CID 174759625
sodium;ethyl octadecan-9-yloxy sulfate;hydride
CID 174994159
lithium;ethoxysulfonyl methanesulfonate;hydride
CID 174759292
CID 159839688
CID 159839688
ethyl fluoro sulfate
CID 88599587
sodium;1-dodecoxyethoxy ethyl sulfate;hydride
CID 173150182
diethyl sulfate;sulfuric acid
CID 158458335
diethyl sulfate;iodoethane
CID 157176238
ethoxysulfonyl ethaneperoxoate
CID 168748485
2-ethoxyethoxy ethyl sulfate
CID 23115694
ethyl methanesulfonate;hydrofluoride
CID 174826290
1-chloroethyl ethyl sulfate
CID 129187155

Frequently Asked Questions

What is the IUPAC name of lithium;difluoromethoxy ethyl sulfate;hydride?
The IUPAC name of lithium;difluoromethoxy ethyl sulfate;hydride (CID 174759627) is lithium;difluoromethoxy ethyl sulfate;hydride.
What is the SMILES notation for lithium;difluoromethoxy ethyl sulfate;hydride?
The canonical SMILES for lithium;difluoromethoxy ethyl sulfate;hydride is CCOS(=O)(=O)OOC(F)F.[H-].[Li+].
What is the InChIKey of lithium;difluoromethoxy ethyl sulfate;hydride?
The InChIKey is UDSDTCFOCHSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O5S.Li.H/c1-2-8-11(6,7)10-9-3(4)5;;/h3H,2H2,1H3;;/q;+1;-1.
What are the key properties of lithium;difluoromethoxy ethyl sulfate;hydride?
lithium;difluoromethoxy ethyl sulfate;hydride has a molecular weight of 200.09 g/mol, XLogP of -2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;difluoromethoxy ethyl sulfate;hydride is sourced from PubChem (CID 174759627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).