methanesulfonic acid;1,1,2-trifluoroethanol

C3H7F3O4S — CID 87548532

IUPACmethanesulfonic acid;1,1,2-trifluoroethanol
SMILESCS(=O)(=O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.CH4O3S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;1H3,(H,2,3,4)
InChIKeyDXMOJBNZFFXDSF-UHFFFAOYSA-N
MW196.15 g/mol
LogP0.05
Rot. Bonds1

About methanesulfonic acid;1,1,2-trifluoroethanol

methanesulfonic acid;1,1,2-trifluoroethanol (PubChem CID 87548532) has the molecular formula C3H7F3O4S and a molecular weight of 196.15 g/mol. Its IUPAC name is methanesulfonic acid;1,1,2-trifluoroethanol.

Molecular Properties

Compound Namemethanesulfonic acid;1,1,2-trifluoroethanol
PubChem CID87548532
Molecular FormulaC3H7F3O4S
Molecular Weight196.15 g/mol
Exact Mass196.00
IUPAC Namemethanesulfonic acid;1,1,2-trifluoroethanol
SMILESCS(=O)(=O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.CH4O3S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;1H3,(H,2,3,4)
InChIKeyDXMOJBNZFFXDSF-UHFFFAOYSA-N
XLogP0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.05
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;1,1,2-trifluoroethanol?
The IUPAC name of methanesulfonic acid;1,1,2-trifluoroethanol (CID 87548532) is methanesulfonic acid;1,1,2-trifluoroethanol.
What is the SMILES notation for methanesulfonic acid;1,1,2-trifluoroethanol?
The canonical SMILES for methanesulfonic acid;1,1,2-trifluoroethanol is CS(=O)(=O)O.OC(F)(F)CF.
What is the InChIKey of methanesulfonic acid;1,1,2-trifluoroethanol?
The InChIKey is DXMOJBNZFFXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O.CH4O3S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1,1,2-trifluoroethanol?
methanesulfonic acid;1,1,2-trifluoroethanol has a molecular weight of 196.15 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1,1,2-trifluoroethanol is sourced from PubChem (CID 87548532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).