sulfuric acid;1,1,2-trifluoroethanol

C2H5F3O5S — CID 174965476

IUPACsulfuric acid;1,1,2-trifluoroethanol
SMILESO=S(=O)(O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.H2O4S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4)
InChIKeyOEHTVOUBLLYZEV-UHFFFAOYSA-N
MW198.12 g/mol
LogP-0.11
Rot. Bonds1

About sulfuric acid;1,1,2-trifluoroethanol

sulfuric acid;1,1,2-trifluoroethanol (PubChem CID 174965476) has the molecular formula C2H5F3O5S and a molecular weight of 198.12 g/mol. Its IUPAC name is sulfuric acid;1,1,2-trifluoroethanol.

Molecular Properties

Compound Namesulfuric acid;1,1,2-trifluoroethanol
PubChem CID174965476
Molecular FormulaC2H5F3O5S
Molecular Weight198.12 g/mol
Exact Mass197.98
IUPAC Namesulfuric acid;1,1,2-trifluoroethanol
SMILESO=S(=O)(O)O.OC(F)(F)CF
InChIInChI=1S/C2H3F3O.H2O4S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4)
InChIKeyOEHTVOUBLLYZEV-UHFFFAOYSA-N
XLogP-0.11
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
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'}

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Related Compounds

1,1,2-Trifluoroethyl hydrogen sulfate
CID 91520723
2,2-Difluoroethyl hydrogen sulfate
CID 118676364
1,1,1,2,3,3-Hexafluoropropan-2-ol;sulfuric acid
CID 21328174
1,1-Difluoropropyl hydrogen sulfate
CID 87623420
1,1-Difluoroethyl hydrogen sulfate
CID 87625148
1,1,2,2-Tetrafluoroethyl hydrogen sulfate
CID 140103257
Sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
1,1,3-Trifluoropropyl hydrogen sulfate
CID 174226948
Sulfurous acid;1,1,2-trifluoroethanol
CID 174962243
Ethane;trifluoromethyl hydrogen sulfate
CID 175275466
Sulfuric acid;1,1,2-trifluoroethane
CID 175092084

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;1,1,2-trifluoroethanol?
The IUPAC name of sulfuric acid;1,1,2-trifluoroethanol (CID 174965476) is sulfuric acid;1,1,2-trifluoroethanol.
What is the SMILES notation for sulfuric acid;1,1,2-trifluoroethanol?
The canonical SMILES for sulfuric acid;1,1,2-trifluoroethanol is O=S(=O)(O)O.OC(F)(F)CF.
What is the InChIKey of sulfuric acid;1,1,2-trifluoroethanol?
The InChIKey is OEHTVOUBLLYZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O.H2O4S/c3-1-2(4,5)6;1-5(2,3)4/h6H,1H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,1,2-trifluoroethanol?
sulfuric acid;1,1,2-trifluoroethanol has a molecular weight of 198.12 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,1,2-trifluoroethanol is sourced from PubChem (CID 174965476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).