phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate

C3H5F6O4PS — CID 87619719

IUPACphosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)OC(F)(F)F.[PH4+]
InChIInChI=1S/C3H2F6O4S.H3P/c4-1(13-3(7,8)9)2(5,6)14(10,11)12;/h1H,(H,10,11,12);1H3
InChIKeyYXIOOCKSSYNHPX-UHFFFAOYSA-N
MW282.10 g/mol
LogP0.75
Rot. Bonds3

About phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate

phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate (PubChem CID 87619719) has the molecular formula C3H5F6O4PS and a molecular weight of 282.10 g/mol. Its IUPAC name is phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate.

Molecular Properties

Compound Namephosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
PubChem CID87619719
Molecular FormulaC3H5F6O4PS
Molecular Weight282.10 g/mol
Exact Mass281.96
IUPAC Namephosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)OC(F)(F)F.[PH4+]
InChIInChI=1S/C3H2F6O4S.H3P/c4-1(13-3(7,8)9)2(5,6)14(10,11)12;/h1H,(H,10,11,12);1H3
InChIKeyYXIOOCKSSYNHPX-UHFFFAOYSA-N
XLogP0.75
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium (2R)-1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 141152926
lithium 1,1,2,2-tetrafluoroethanesulfonate
CID 87303573
1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;triphenylphosphanium
CID 159148591
1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate;triphenylsulfanium
CID 86609524
1,1,2,3,3-pentafluoropropane-1-sulfonate
CID 58298540
1-methyl-1H-imidazol-1-ium;1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonate
CID 143274476
fluoromethanetrisulfonate
CID 59641509
bismuth tris(2-cyano-1,1,2-trifluoroethanesulfonate)
CID 173339741
dimethylsulfanium;1,1,2,3,3,3-hexafluoropropane-1-sulfonate
CID 161156504
1,1,2-trifluoro-4-methoxybutane-1-sulfonate
CID 58100672
1,1,2-trifluoro-2-(trifluoromethoxy)-1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanylethane
CID 151203213
sulfanium 1,1,2-trifluoro-4-hydroxybutane-1-sulfonate
CID 160759853

Frequently Asked Questions

What is the IUPAC name of phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate?
The IUPAC name of phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate (CID 87619719) is phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate.
What is the SMILES notation for phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate?
The canonical SMILES for phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)OC(F)(F)F.[PH4+].
What is the InChIKey of phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate?
The InChIKey is YXIOOCKSSYNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O4S.H3P/c4-1(13-3(7,8)9)2(5,6)14(10,11)12;/h1H,(H,10,11,12);1H3.
What are the key properties of phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate?
phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate has a molecular weight of 282.10 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanium 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonate is sourced from PubChem (CID 87619719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).