aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate

C32H21AlF6N2O3 — CID 23023294

IUPACaluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
SMILESCc1ccc2cc(C(F)(F)F)cc([O-])c2n1.Cc1ccc2cc(C(F)(F)F)cc([O-])c2n1.[Al+3].[O-]c1ccc2ccccc2c1
InChIInChI=1S/2C11H8F3NO.C10H8O.Al/c2*1-6-2-3-7-4-8(11(12,13)14)5-9(16)10(7)15-6;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*2-5,16H,1H3;1-7,11H;/q;;;+3/p-3
InChIKeyLPIGJBNGROENPD-UHFFFAOYSA-K
MW622.50 g/mol
LogP6.80
Rot. Bonds

About aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate

aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate (PubChem CID 23023294) has the molecular formula C32H21AlF6N2O3 and a molecular weight of 622.50 g/mol. Its IUPAC name is aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate.

Molecular Properties

Compound Namealuminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
PubChem CID23023294
Molecular FormulaC32H21AlF6N2O3
Molecular Weight622.50 g/mol
Exact Mass622.13
IUPAC Namealuminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate
SMILESCc1ccc2cc(C(F)(F)F)cc([O-])c2n1.Cc1ccc2cc(C(F)(F)F)cc([O-])c2n1.[Al+3].[O-]c1ccc2ccccc2c1
InChIInChI=1S/2C11H8F3NO.C10H8O.Al/c2*1-6-2-3-7-4-8(11(12,13)14)5-9(16)10(7)15-6;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*2-5,16H,1H3;1-7,11H;/q;;;+3/p-3
InChIKeyLPIGJBNGROENPD-UHFFFAOYSA-K
XLogP6.80
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.50
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate?
The IUPAC name of aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate (CID 23023294) is aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate.
What is the SMILES notation for aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate?
The canonical SMILES for aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate is Cc1ccc2cc(C(F)(F)F)cc([O-])c2n1.Cc1ccc2cc(C(F)(F)F)cc([O-])c2n1.[Al+3].[O-]c1ccc2ccccc2c1.
What is the InChIKey of aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate?
The InChIKey is LPIGJBNGROENPD-UHFFFAOYSA-K. The full InChI is InChI=1S/2C11H8F3NO.C10H8O.Al/c2*1-6-2-3-7-4-8(11(12,13)14)5-9(16)10(7)15-6;11-10-6-5-8-3-1-2-4-9(8)7-10;/h2*2-5,16H,1H3;1-7,11H;/q;;;+3/p-3.
What are the key properties of aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate?
aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate has a molecular weight of 622.50 g/mol, XLogP of 6.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(2-methyl-6-(trifluoromethyl)quinolin-8-olate);naphthalen-2-olate is sourced from PubChem (CID 23023294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).