propane;trifluoromethylsulfonyl trifluoromethanesulfonate

C5H8F6O5S2 — CID 91035732

IUPACpropane;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCCC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H8.C2F6O5S2/c1-3-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h3H2,1-2H3;
InChIKeyGSADFDBOWRCLBI-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.12
Rot. Bonds2

About propane;trifluoromethylsulfonyl trifluoromethanesulfonate

propane;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 91035732) has the molecular formula C5H8F6O5S2 and a molecular weight of 326.24 g/mol. Its IUPAC name is propane;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

Compound Namepropane;trifluoromethylsulfonyl trifluoromethanesulfonate
PubChem CID91035732
Molecular FormulaC5H8F6O5S2
Molecular Weight326.24 g/mol
Exact Mass325.97
IUPAC Namepropane;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESCCC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H8.C2F6O5S2/c1-3-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h3H2,1-2H3;
InChIKeyGSADFDBOWRCLBI-UHFFFAOYSA-N
XLogP2.12
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 16684465
CID 16684465
Propane;tris(trifluoromethanesulfonic acid)
CID 134991596
Dibutyltin Ditriflate
CID 22506450
ethyl ytterbium(III) triflate
CID 86717837
Propane;titanium(4+);tris(trifluoromethanesulfinate)
CID 87082400
[Butyl(trifluoromethylsulfonyloxy)boranyl] trifluoromethanesulfonate
CID 101992554
[Dibutyl(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
CID 102008285
[Butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
CID 141297781
Trifluoromethylsulfonyl 2-methylpropane-2-sulfonate
CID 150966880
Ethane;bis(trifluoromethanesulfonic acid)
CID 157442253
Butane;methylsulfonyl(trifluoromethylsulfonyl)azanide
CID 160690698
Butane;disulfinatosulfamoyl(trifluoro)methane;hydrofluoride
CID 174781625

Frequently Asked Questions

What is the IUPAC name of propane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The IUPAC name of propane;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 91035732) is propane;trifluoromethylsulfonyl trifluoromethanesulfonate.
What is the SMILES notation for propane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The canonical SMILES for propane;trifluoromethylsulfonyl trifluoromethanesulfonate is CCC.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of propane;trifluoromethylsulfonyl trifluoromethanesulfonate?
The InChIKey is GSADFDBOWRCLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2F6O5S2/c1-3-2;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h3H2,1-2H3;.
What are the key properties of propane;trifluoromethylsulfonyl trifluoromethanesulfonate?
propane;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 326.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 91035732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).