carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid

C4H7F3O8S — CID 146308482

IUPACcarbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)O.O=C(O)C(F)(F)F.O=C(O)O
InChIInChI=1S/C2HF3O2.CH4O3S.CH2O3/c3-2(4,5)1(6)7;1-5(2,3)4;2-1(3)4/h(H,6,7);1H3,(H,2,3,4);(H2,2,3,4)
InChIKeyZZEJQSPBQKXPPG-UHFFFAOYSA-N
MW272.15 g/mol
LogP0.36
Rot. Bonds

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

carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid (PubChem CID 146308482) has the molecular formula C4H7F3O8S and a molecular weight of 272.15 g/mol. Its IUPAC name is carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecarbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid
PubChem CID146308482
Molecular FormulaC4H7F3O8S
Molecular Weight272.15 g/mol
Exact Mass271.98
IUPAC Namecarbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)O.O=C(O)C(F)(F)F.O=C(O)O
InChIInChI=1S/C2HF3O2.CH4O3S.CH2O3/c3-2(4,5)1(6)7;1-5(2,3)4;2-1(3)4/h(H,6,7);1H3,(H,2,3,4);(H2,2,3,4)
InChIKeyZZEJQSPBQKXPPG-UHFFFAOYSA-N
XLogP0.36
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid (CID 146308482) is carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid is CS(=O)(=O)O.O=C(O)C(F)(F)F.O=C(O)O.
What is the InChIKey of carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid?
The InChIKey is ZZEJQSPBQKXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH4O3S.CH2O3/c3-2(4,5)1(6)7;1-5(2,3)4;2-1(3)4/h(H,6,7);1H3,(H,2,3,4);(H2,2,3,4).
What are the key properties of carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid?
carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid has a molecular weight of 272.15 g/mol, XLogP of 0.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;methanesulfonic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146308482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).