bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid

C4H2F12O4S — CID 174440360

IUPACbis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/2C2F6.H2O4S/c2*3-1(4,5)2(6,7)8;1-5(2,3)4/h;;(H2,1,2,3,4)
InChIKeyIIXSXJJXMUMQGB-UHFFFAOYSA-N
MW374.10 g/mol
LogP3.57
Rot. Bonds

About bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid

bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid (PubChem CID 174440360) has the molecular formula C4H2F12O4S and a molecular weight of 374.10 g/mol. Its IUPAC name is bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid.

Molecular Properties

Compound Namebis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
PubChem CID174440360
Molecular FormulaC4H2F12O4S
Molecular Weight374.10 g/mol
Exact Mass373.95
IUPAC Namebis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid
SMILESFC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O
InChIInChI=1S/2C2F6.H2O4S/c2*3-1(4,5)2(6,7)8;1-5(2,3)4/h;;(H2,1,2,3,4)
InChIKeyIIXSXJJXMUMQGB-UHFFFAOYSA-N
XLogP3.57
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid?
The IUPAC name of bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid (CID 174440360) is bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid.
What is the SMILES notation for bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid?
The canonical SMILES for bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid is FC(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)F.O=S(=O)(O)O.
What is the InChIKey of bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid?
The InChIKey is IIXSXJJXMUMQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2F6.H2O4S/c2*3-1(4,5)2(6,7)8;1-5(2,3)4/h;;(H2,1,2,3,4).
What are the key properties of bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid?
bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid has a molecular weight of 374.10 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,2,2,2-hexafluoroethane);sulfuric acid is sourced from PubChem (CID 174440360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).