sulfuric acid;2,2,2-trifluoroethanol

C2H5F3O5S — CID 172737792

IUPACsulfuric acid;2,2,2-trifluoroethanol
SMILESO=S(=O)(O)O.OCC(F)(F)F
InChIInChI=1S/C2H3F3O.H2O4S/c3-2(4,5)1-6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4)
InChIKeyIRHGPRUKFSWULZ-UHFFFAOYSA-N
MW198.12 g/mol
LogP-0.11
Rot. Bonds

About sulfuric acid;2,2,2-trifluoroethanol

sulfuric acid;2,2,2-trifluoroethanol (PubChem CID 172737792) has the molecular formula C2H5F3O5S and a molecular weight of 198.12 g/mol. Its IUPAC name is sulfuric acid;2,2,2-trifluoroethanol.

Molecular Properties

Compound Namesulfuric acid;2,2,2-trifluoroethanol
PubChem CID172737792
Molecular FormulaC2H5F3O5S
Molecular Weight198.12 g/mol
Exact Mass197.98
IUPAC Namesulfuric acid;2,2,2-trifluoroethanol
SMILESO=S(=O)(O)O.OCC(F)(F)F
InChIInChI=1S/C2H3F3O.H2O4S/c3-2(4,5)1-6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4)
InChIKeyIRHGPRUKFSWULZ-UHFFFAOYSA-N
XLogP-0.11
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze sulfuric acid;2,2,2-trifluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-Trifluoropropyl hydrogen sulfate
CID 157410
2,2-Difluoroethyl hydrogen sulfate
CID 118676364
1,2,2-Trifluoroethyl hydrogen sulfate
CID 23283868
2,2,2-Trifluoroethyl hydrogen sulfate
CID 54093656
Sulfuric acid;bis(2,2,2-trifluoroethanol)
CID 85944789
1,2,2-Trifluoroethanol;trifluoromethanesulfonic acid
CID 87109033
3,3-Difluoropropyl hydrogen sulfate
CID 118676406
1,1,1,3,3,3-Hexafluoropropan-2-ol;sulfuric acid
CID 146471813
Ethanol;trifluoromethanesulfonic acid
CID 157208769
Magnesium;hydride;2,2,2-trifluoroethyl hydrogen sulfate
CID 173620136
Lithium;hydride;2,2,2-trifluoroethyl hydrogen sulfate
CID 173620171
2,2,3-Trifluoropropyl hydrogen sulfate
CID 174226949

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;2,2,2-trifluoroethanol?
The IUPAC name of sulfuric acid;2,2,2-trifluoroethanol (CID 172737792) is sulfuric acid;2,2,2-trifluoroethanol.
What is the SMILES notation for sulfuric acid;2,2,2-trifluoroethanol?
The canonical SMILES for sulfuric acid;2,2,2-trifluoroethanol is O=S(=O)(O)O.OCC(F)(F)F.
What is the InChIKey of sulfuric acid;2,2,2-trifluoroethanol?
The InChIKey is IRHGPRUKFSWULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O.H2O4S/c3-2(4,5)1-6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;2,2,2-trifluoroethanol?
sulfuric acid;2,2,2-trifluoroethanol has a molecular weight of 198.12 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;2,2,2-trifluoroethanol is sourced from PubChem (CID 172737792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).