aluminum;propan-2-olate;bis(trifluoromethanesulfonate)

C5H7AlF6O7S2 — CID 22992969

IUPACaluminum;propan-2-olate;bis(trifluoromethanesulfonate)
SMILESCC(C)[O-].O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Al+3]
InChIInChI=1S/C3H7O.2CHF3O3S.Al/c1-3(2)4;2*2-1(3,4)8(5,6)7;/h3H,1-2H3;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyYDDMKEONJQMSSK-UHFFFAOYSA-L
MW384.21 g/mol
LogP-0.52
Rot. Bonds

About aluminum;propan-2-olate;bis(trifluoromethanesulfonate)

aluminum;propan-2-olate;bis(trifluoromethanesulfonate) (PubChem CID 22992969) has the molecular formula C5H7AlF6O7S2 and a molecular weight of 384.21 g/mol. Its IUPAC name is aluminum;propan-2-olate;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namealuminum;propan-2-olate;bis(trifluoromethanesulfonate)
PubChem CID22992969
Molecular FormulaC5H7AlF6O7S2
Molecular Weight384.21 g/mol
Exact Mass383.94
IUPAC Namealuminum;propan-2-olate;bis(trifluoromethanesulfonate)
SMILESCC(C)[O-].O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Al+3]
InChIInChI=1S/C3H7O.2CHF3O3S.Al/c1-3(2)4;2*2-1(3,4)8(5,6)7;/h3H,1-2H3;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyYDDMKEONJQMSSK-UHFFFAOYSA-L
XLogP-0.52
TPSA137.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;propan-2-olate;bis(trifluoromethanesulfonate)?
The IUPAC name of aluminum;propan-2-olate;bis(trifluoromethanesulfonate) (CID 22992969) is aluminum;propan-2-olate;bis(trifluoromethanesulfonate).
What is the SMILES notation for aluminum;propan-2-olate;bis(trifluoromethanesulfonate)?
The canonical SMILES for aluminum;propan-2-olate;bis(trifluoromethanesulfonate) is CC(C)[O-].O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Al+3].
What is the InChIKey of aluminum;propan-2-olate;bis(trifluoromethanesulfonate)?
The InChIKey is YDDMKEONJQMSSK-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O.2CHF3O3S.Al/c1-3(2)4;2*2-1(3,4)8(5,6)7;/h3H,1-2H3;2*(H,5,6,7);/q-1;;;+3/p-2.
What are the key properties of aluminum;propan-2-olate;bis(trifluoromethanesulfonate)?
aluminum;propan-2-olate;bis(trifluoromethanesulfonate) has a molecular weight of 384.21 g/mol, XLogP of -0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;propan-2-olate;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 22992969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).