sulfurous acid;1,1,2-trifluoroethanol

C2H5F3O4S — CID 174962243

IUPACsulfurous acid;1,1,2-trifluoroethanol
SMILESO=S(O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.H2O3S/c3-1-2(4,5)6;1-4(2)3/h6H,1H2;(H2,1,2,3)
InChIKeyOCDJDBWMFVWHHM-UHFFFAOYSA-N
MW182.12 g/mol
LogP0.22
Rot. Bonds1

About sulfurous acid;1,1,2-trifluoroethanol

sulfurous acid;1,1,2-trifluoroethanol (PubChem CID 174962243) has the molecular formula C2H5F3O4S and a molecular weight of 182.12 g/mol. Its IUPAC name is sulfurous acid;1,1,2-trifluoroethanol.

Molecular Properties

Compound Namesulfurous acid;1,1,2-trifluoroethanol
PubChem CID174962243
Molecular FormulaC2H5F3O4S
Molecular Weight182.12 g/mol
Exact Mass181.99
IUPAC Namesulfurous acid;1,1,2-trifluoroethanol
SMILESO=S(O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.H2O3S/c3-1-2(4,5)6;1-4(2)3/h6H,1H2;(H2,1,2,3)
InChIKeyOCDJDBWMFVWHHM-UHFFFAOYSA-N
XLogP0.22
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfurous acid;1,1,2-trifluoroethanol?
The IUPAC name of sulfurous acid;1,1,2-trifluoroethanol (CID 174962243) is sulfurous acid;1,1,2-trifluoroethanol.
What is the SMILES notation for sulfurous acid;1,1,2-trifluoroethanol?
The canonical SMILES for sulfurous acid;1,1,2-trifluoroethanol is O=S(O)O.OC(F)(F)CF.
What is the InChIKey of sulfurous acid;1,1,2-trifluoroethanol?
The InChIKey is OCDJDBWMFVWHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O.H2O3S/c3-1-2(4,5)6;1-4(2)3/h6H,1H2;(H2,1,2,3).
What are the key properties of sulfurous acid;1,1,2-trifluoroethanol?
sulfurous acid;1,1,2-trifluoroethanol has a molecular weight of 182.12 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfurous acid;1,1,2-trifluoroethanol is sourced from PubChem (CID 174962243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).