1,2-difluoroethanol;methanesulfonic acid

C3H8F2O4S — CID 175310742

IUPAC1,2-difluoroethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC(F)CF
InChIInChI=1S/C2H4F2O.CH4O3S/c3-1-2(4)5;1-5(2,3)4/h2,5H,1H2;1H3,(H,2,3,4)
InChIKeyWAVYFOLGYAZJLY-UHFFFAOYSA-N
MW178.16 g/mol
LogP-0.25
Rot. Bonds1

About 1,2-difluoroethanol;methanesulfonic acid

1,2-difluoroethanol;methanesulfonic acid (PubChem CID 175310742) has the molecular formula C3H8F2O4S and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,2-difluoroethanol;methanesulfonic acid.

Molecular Properties

Compound Name1,2-difluoroethanol;methanesulfonic acid
PubChem CID175310742
Molecular FormulaC3H8F2O4S
Molecular Weight178.16 g/mol
Exact Mass178.01
IUPAC Name1,2-difluoroethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OC(F)CF
InChIInChI=1S/C2H4F2O.CH4O3S/c3-1-2(4)5;1-5(2,3)4/h2,5H,1H2;1H3,(H,2,3,4)
InChIKeyWAVYFOLGYAZJLY-UHFFFAOYSA-N
XLogP-0.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 5-0.25
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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Related Compounds

methanesulfonic acid;methanetriol
CID 174918384
fluoromethanesulfonic acid;methanesulfonic acid
CID 87286738
methanesulfonic acid;propane-1,2,3-triol
CID 71359937
ethane-1,1-diol;fluoromethanesulfonic acid
CID 87128075
carbanide;1,2-difluoroethanol;rutherfordium
CID 58942634
methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
CID 175260214
methanesulfonic acid;1-sulfanylethanol
CID 174795676
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 87129852
CID 87129852
methanesulfonic acid;hydrate
CID 87278985

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoroethanol;methanesulfonic acid?
The IUPAC name of 1,2-difluoroethanol;methanesulfonic acid (CID 175310742) is 1,2-difluoroethanol;methanesulfonic acid.
What is the SMILES notation for 1,2-difluoroethanol;methanesulfonic acid?
The canonical SMILES for 1,2-difluoroethanol;methanesulfonic acid is CS(=O)(=O)O.OC(F)CF.
What is the InChIKey of 1,2-difluoroethanol;methanesulfonic acid?
The InChIKey is WAVYFOLGYAZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2O.CH4O3S/c3-1-2(4)5;1-5(2,3)4/h2,5H,1H2;1H3,(H,2,3,4).
What are the key properties of 1,2-difluoroethanol;methanesulfonic acid?
1,2-difluoroethanol;methanesulfonic acid has a molecular weight of 178.16 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoroethanol;methanesulfonic acid is sourced from PubChem (CID 175310742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).