1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate

C8H6F12O6S2 — CID 87128316

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(C(F)(F)F)C(F)(F)F)OS(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O6S2/c1-2(25-27(21,22)3(5(9,10)11)6(12,13)14)26-28(23,24)4(7(15,16)17)8(18,19)20/h2-4H,1H3
InChIKeyZSCURYMWSWSNAF-UHFFFAOYSA-N
MW490.24 g/mol
LogP3.01
Rot. Bonds6

About 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate

1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate (PubChem CID 87128316) has the molecular formula C8H6F12O6S2 and a molecular weight of 490.24 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate
PubChem CID87128316
Molecular FormulaC8H6F12O6S2
Molecular Weight490.24 g/mol
Exact Mass489.94
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate
SMILESCC(OS(=O)(=O)C(C(F)(F)F)C(F)(F)F)OS(=O)(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O6S2/c1-2(25-27(21,22)3(5(9,10)11)6(12,13)14)26-28(23,24)4(7(15,16)17)8(18,19)20/h2-4H,1H3
InChIKeyZSCURYMWSWSNAF-UHFFFAOYSA-N
XLogP3.01
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.24
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate 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

1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 14292219
propan-2-yl trifluoromethanesulfonate
CID 10877967
1,1,2,2-tetrafluoro-3-hydroxybutane-1-sulfonic acid
CID 151990025
1,2,2,2-tetrafluoroethylsulfonyl 1,2,2,2-tetrafluoroethanesulfonate
CID 87660281
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
1,1,1,3,3,3-hexafluoropropan-2-yl N-methylsulfamate
CID 146244224
potassium 1,1,2,2,3-pentafluorobutane-1-sulfonate
CID 122480963
1-ethenylsulfonyloxyethyl ethenesulfonate
CID 175406937
1-cyclopropyloxyethyl trifluoromethanesulfonate
CID 154943234
silver;propan-2-yl trifluoromethanesulfonate;trifluoromethanesulfonate
CID 159157127
1,1-difluoro-2-propan-2-yloxypropane-1-sulfonic acid
CID 129070341
3,3,4,4-tetrafluorobutan-2-yl methanesulfonate
CID 150953527

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate (CID 87128316) is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate is CC(OS(=O)(=O)C(C(F)(F)F)C(F)(F)F)OS(=O)(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate?
The InChIKey is ZSCURYMWSWSNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O6S2/c1-2(25-27(21,22)3(5(9,10)11)6(12,13)14)26-28(23,24)4(7(15,16)17)8(18,19)20/h2-4H,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate?
1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate has a molecular weight of 490.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfonyloxy)ethyl 1,1,1,3,3,3-hexafluoropropane-2-sulfonate is sourced from PubChem (CID 87128316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).