lithium 1-fluoroprop-2-enyl sulfate

C3H4FLiO4S — CID 175344175

IUPAClithium 1-fluoroprop-2-enyl sulfate
SMILESC=CC(F)OS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H5FO4S.Li/c1-2-3(4)8-9(5,6)7;/h2-3H,1H2,(H,5,6,7);/q;+1/p-1
InChIKeyCLEIIEZHCCPLCV-UHFFFAOYSA-M
MW162.07 g/mol
LogP-3.05
Rot. Bonds3

About lithium 1-fluoroprop-2-enyl sulfate

lithium 1-fluoroprop-2-enyl sulfate (PubChem CID 175344175) has the molecular formula C3H4FLiO4S and a molecular weight of 162.07 g/mol. Its IUPAC name is lithium 1-fluoroprop-2-enyl sulfate.

Molecular Properties

Compound Namelithium 1-fluoroprop-2-enyl sulfate
PubChem CID175344175
Molecular FormulaC3H4FLiO4S
Molecular Weight162.07 g/mol
Exact Mass162.00
IUPAC Namelithium 1-fluoroprop-2-enyl sulfate
SMILESC=CC(F)OS(=O)(=O)[O-].[Li+]
InChIInChI=1S/C3H5FO4S.Li/c1-2-3(4)8-9(5,6)7;/h2-3H,1H2,(H,5,6,7);/q;+1/p-1
InChIKeyCLEIIEZHCCPLCV-UHFFFAOYSA-M
XLogP-3.05
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 5-3.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1-fluoroprop-2-enyl) oxalate
CID 174444690
sodium henicos-1-en-3-yl sulfate
CID 87898302
azanium propan-2-yl sulfate
CID 87164881
3-chlorosulfinyloxy-3-fluoroprop-1-ene
CID 121364749
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
1-fluoroprop-2-ene-1-sulfonyl chloride
CID 87742271
lithium prop-2-enyl sulfate
CID 87403119
2,3,4,5-tetrafluoro-6-(1-fluoroprop-2-enoxy)benzenesulfonyl chloride
CID 167079776
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
3-methoxy-3-(1-methoxyprop-2-enylsulfonyl)prop-1-ene
CID 90811533
aluminum tris(prop-2-enyl sulfate)
CID 173336945
ethenesulfonate;holmium(3+)
CID 163217157

Frequently Asked Questions

What is the IUPAC name of lithium 1-fluoroprop-2-enyl sulfate?
The IUPAC name of lithium 1-fluoroprop-2-enyl sulfate (CID 175344175) is lithium 1-fluoroprop-2-enyl sulfate.
What is the SMILES notation for lithium 1-fluoroprop-2-enyl sulfate?
The canonical SMILES for lithium 1-fluoroprop-2-enyl sulfate is C=CC(F)OS(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 1-fluoroprop-2-enyl sulfate?
The InChIKey is CLEIIEZHCCPLCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO4S.Li/c1-2-3(4)8-9(5,6)7;/h2-3H,1H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium 1-fluoroprop-2-enyl sulfate?
lithium 1-fluoroprop-2-enyl sulfate has a molecular weight of 162.07 g/mol, XLogP of -3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-fluoroprop-2-enyl sulfate is sourced from PubChem (CID 175344175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).