sulfuric acid;1,1,2-trifluoroethane

C2H5F3O4S — CID 175092084

IUPACsulfuric acid;1,1,2-trifluoroethane
SMILESFCC(F)F.O=S(=O)(O)O
InChIInChI=1S/C2H3F3.H2O4S/c3-1-2(4)5;1-5(2,3)4/h2H,1H2;(H2,1,2,3,4)
InChIKeyKWWJHFJBUIPRNS-UHFFFAOYSA-N
MW182.12 g/mol
LogP0.57
Rot. Bonds1

About sulfuric acid;1,1,2-trifluoroethane

sulfuric acid;1,1,2-trifluoroethane (PubChem CID 175092084) has the molecular formula C2H5F3O4S and a molecular weight of 182.12 g/mol. Its IUPAC name is sulfuric acid;1,1,2-trifluoroethane.

Molecular Properties

Compound Namesulfuric acid;1,1,2-trifluoroethane
PubChem CID175092084
Molecular FormulaC2H5F3O4S
Molecular Weight182.12 g/mol
Exact Mass181.99
IUPAC Namesulfuric acid;1,1,2-trifluoroethane
SMILESFCC(F)F.O=S(=O)(O)O
InChIInChI=1S/C2H3F3.H2O4S/c3-1-2(4)5;1-5(2,3)4/h2H,1H2;(H2,1,2,3,4)
InChIKeyKWWJHFJBUIPRNS-UHFFFAOYSA-N
XLogP0.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 sulfuric acid;1,1,2-trifluoroethane?
The IUPAC name of sulfuric acid;1,1,2-trifluoroethane (CID 175092084) is sulfuric acid;1,1,2-trifluoroethane.
What is the SMILES notation for sulfuric acid;1,1,2-trifluoroethane?
The canonical SMILES for sulfuric acid;1,1,2-trifluoroethane is FCC(F)F.O=S(=O)(O)O.
What is the InChIKey of sulfuric acid;1,1,2-trifluoroethane?
The InChIKey is KWWJHFJBUIPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3.H2O4S/c3-1-2(4)5;1-5(2,3)4/h2H,1H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;1,1,2-trifluoroethane?
sulfuric acid;1,1,2-trifluoroethane has a molecular weight of 182.12 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;1,1,2-trifluoroethane is sourced from PubChem (CID 175092084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).