sulfanium 2,2,2-trifluoroacetic acid

C2H4F3O2S+ — CID 158048002

IUPACsulfanium 2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[SH3+]
InChIInChI=1S/C2HF3O2.H2S/c3-2(4,5)1(6)7;/h(H,6,7);1H2/p+1
InChIKeyFJDLJSWDGIJLDC-UHFFFAOYSA-O
MW149.11 g/mol
LogP-0.17
Rot. Bonds

About sulfanium 2,2,2-trifluoroacetic acid

sulfanium 2,2,2-trifluoroacetic acid (PubChem CID 158048002) has the molecular formula C2H4F3O2S+ and a molecular weight of 149.11 g/mol. Its IUPAC name is sulfanium 2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namesulfanium 2,2,2-trifluoroacetic acid
PubChem CID158048002
Molecular FormulaC2H4F3O2S+
Molecular Weight149.11 g/mol
Exact Mass148.99
IUPAC Namesulfanium 2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[SH3+]
InChIInChI=1S/C2HF3O2.H2S/c3-2(4,5)1(6)7;/h(H,6,7);1H2/p+1
InChIKeyFJDLJSWDGIJLDC-UHFFFAOYSA-O
XLogP-0.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 175908128
CID 175908128

Frequently Asked Questions

What is the IUPAC name of sulfanium 2,2,2-trifluoroacetic acid?
The IUPAC name of sulfanium 2,2,2-trifluoroacetic acid (CID 158048002) is sulfanium 2,2,2-trifluoroacetic acid.
What is the SMILES notation for sulfanium 2,2,2-trifluoroacetic acid?
The canonical SMILES for sulfanium 2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[SH3+].
What is the InChIKey of sulfanium 2,2,2-trifluoroacetic acid?
The InChIKey is FJDLJSWDGIJLDC-UHFFFAOYSA-O. The full InChI is InChI=1S/C2HF3O2.H2S/c3-2(4,5)1(6)7;/h(H,6,7);1H2/p+1.
What are the key properties of sulfanium 2,2,2-trifluoroacetic acid?
sulfanium 2,2,2-trifluoroacetic acid has a molecular weight of 149.11 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanium 2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158048002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).