propane;tris(trifluoromethanesulfonic acid)

C6H11F9O9S3 — CID 134991596

IUPACpropane;tris(trifluoromethanesulfonic acid)
SMILESCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H8.3CHF3O3S/c1-3-2;3*2-1(3,4)8(5,6)7/h3H2,1-2H3;3*(H,5,6,7)
InChIKeyNVDYCEUAMFHXOY-UHFFFAOYSA-N
MW494.33 g/mol
LogP2.60
Rot. Bonds

About propane;tris(trifluoromethanesulfonic acid)

propane;tris(trifluoromethanesulfonic acid) (PubChem CID 134991596) has the molecular formula C6H11F9O9S3 and a molecular weight of 494.33 g/mol. Its IUPAC name is propane;tris(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namepropane;tris(trifluoromethanesulfonic acid)
PubChem CID134991596
Molecular FormulaC6H11F9O9S3
Molecular Weight494.33 g/mol
Exact Mass493.94
IUPAC Namepropane;tris(trifluoromethanesulfonic acid)
SMILESCCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C3H8.3CHF3O3S/c1-3-2;3*2-1(3,4)8(5,6)7/h3H2,1-2H3;3*(H,5,6,7)
InChIKeyNVDYCEUAMFHXOY-UHFFFAOYSA-N
XLogP2.60
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfane;1,1,2,2-tetrafluorobutane-1-sulfonic acid
CID 22182351
Dibutyltin;bis(trifluoromethanesulfonic acid)
CID 50908961
Propane;trifluoromethanesulfonic acid
CID 87365667
Butane;trifluoromethanesulfonic acid
CID 87515267
Propane;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 91035732
[Butyl-bis(trifluoromethylsulfonyloxy)stannyl] trifluoromethanesulfonate
CID 141297781
Ethane;bis(trifluoromethanesulfonic acid)
CID 157442253
Methane;methylsulfonyl trifluoromethanesulfonate;trifluoromethanesulfonic acid
CID 159894016
Bis(1,1,3,3,3-pentafluoropropane-1-sulfonic acid);hydrate
CID 172736606
Dibutyltin;bis(trifluoromethanesulfonic acid)
CID 2758053
CID 102057341
CID 102057341
1,1,2,2-Tetrafluoropropane;trifluoromethanesulfonic acid
CID 160244684

Frequently Asked Questions

What is the IUPAC name of propane;tris(trifluoromethanesulfonic acid)?
The IUPAC name of propane;tris(trifluoromethanesulfonic acid) (CID 134991596) is propane;tris(trifluoromethanesulfonic acid).
What is the SMILES notation for propane;tris(trifluoromethanesulfonic acid)?
The canonical SMILES for propane;tris(trifluoromethanesulfonic acid) is CCC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of propane;tris(trifluoromethanesulfonic acid)?
The InChIKey is NVDYCEUAMFHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.3CHF3O3S/c1-3-2;3*2-1(3,4)8(5,6)7/h3H2,1-2H3;3*(H,5,6,7).
What are the key properties of propane;tris(trifluoromethanesulfonic acid)?
propane;tris(trifluoromethanesulfonic acid) has a molecular weight of 494.33 g/mol, XLogP of 2.60, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propane;tris(trifluoromethanesulfonic acid) is sourced from PubChem (CID 134991596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).