methanesulfonic acid;2,2,2-trifluoroacetic acid

C3H5F3O5S — CID 87071169

IUPACmethanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.CH4O3S/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);1H3,(H,2,3,4)
InChIKeyJWWVWJOIKZNCSU-UHFFFAOYSA-N
MW210.13 g/mol
LogP0.14
Rot. Bonds

About methanesulfonic acid;2,2,2-trifluoroacetic acid

methanesulfonic acid;2,2,2-trifluoroacetic acid (PubChem CID 87071169) has the molecular formula C3H5F3O5S and a molecular weight of 210.13 g/mol. Its IUPAC name is methanesulfonic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethanesulfonic acid;2,2,2-trifluoroacetic acid
PubChem CID87071169
Molecular FormulaC3H5F3O5S
Molecular Weight210.13 g/mol
Exact Mass209.98
IUPAC Namemethanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.CH4O3S/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);1H3,(H,2,3,4)
InChIKeyJWWVWJOIKZNCSU-UHFFFAOYSA-N
XLogP0.14
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of methanesulfonic acid;2,2,2-trifluoroacetic acid (CID 87071169) is methanesulfonic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methanesulfonic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for methanesulfonic acid;2,2,2-trifluoroacetic acid is CS(=O)(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of methanesulfonic acid;2,2,2-trifluoroacetic acid?
The InChIKey is JWWVWJOIKZNCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH4O3S/c3-2(4,5)1(6)7;1-5(2,3)4/h(H,6,7);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2,2,2-trifluoroacetic acid?
methanesulfonic acid;2,2,2-trifluoroacetic acid has a molecular weight of 210.13 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87071169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).