ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid

C4H8ClF3O5S2 — CID 162214808

IUPACethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
SMILESCCS(=O)(=O)Cl.O=S(=O)(O)CC(F)(F)F
InChIInChI=1S/C2H5ClO2S.C2H3F3O3S/c1-2-6(3,4)5;3-2(4,5)1-9(6,7)8/h2H2,1H3;1H2,(H,6,7,8)
InChIKeyZTHXNFNJACJRPP-UHFFFAOYSA-N
MW292.68 g/mol
LogP1.01
Rot. Bonds2

About ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid

ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid (PubChem CID 162214808) has the molecular formula C4H8ClF3O5S2 and a molecular weight of 292.68 g/mol. Its IUPAC name is ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid.

Molecular Properties

Compound Nameethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
PubChem CID162214808
Molecular FormulaC4H8ClF3O5S2
Molecular Weight292.68 g/mol
Exact Mass291.95
IUPAC Nameethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
SMILESCCS(=O)(=O)Cl.O=S(=O)(O)CC(F)(F)F
InChIInChI=1S/C2H5ClO2S.C2H3F3O3S/c1-2-6(3,4)5;3-2(4,5)1-9(6,7)8/h2H2,1H3;1H2,(H,6,7,8)
InChIKeyZTHXNFNJACJRPP-UHFFFAOYSA-N
XLogP1.01
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403
propane-1,2,3-triol;tris(2,2,2-trifluoroethanesulfonic acid)
CID 173057629
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
9H-fluorene;2,2,2-trifluoroethanesulfonic acid
CID 160817133
1,2-difluoropropane;trifluoromethanesulfonyl chloride
CID 87990471
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
ethanesulfonic acid;hexahydrofluoride
CID 174503180
ethanesulfonic acid;zinc
CID 87105443
cobalt;ethanesulfonic acid
CID 162463828

Frequently Asked Questions

What is the IUPAC name of ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid?
The IUPAC name of ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid (CID 162214808) is ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid.
What is the SMILES notation for ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid?
The canonical SMILES for ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid is CCS(=O)(=O)Cl.O=S(=O)(O)CC(F)(F)F.
What is the InChIKey of ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid?
The InChIKey is ZTHXNFNJACJRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5ClO2S.C2H3F3O3S/c1-2-6(3,4)5;3-2(4,5)1-9(6,7)8/h2H2,1H3;1H2,(H,6,7,8).
What are the key properties of ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid?
ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid has a molecular weight of 292.68 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid is sourced from PubChem (CID 162214808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).