fluoro-(4-methylphenyl)-octylalumane

C15H24AlF — CID 140619409

IUPACfluoro-(4-methylphenyl)-octylalumane
SMILESCCCCCCCC[Al](F)c1ccc(C)cc1
InChIInChI=1S/C8H17.C7H7.Al.FH/c1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;;/h1,3-8H2,2H3;3-6H,1H3;;1H/q;;+1;/p-1
InChIKeyCRRJVQWNXDGYML-UHFFFAOYSA-M
MW250.34 g/mol
LogP4.52
Rot. Bonds8

About fluoro-(4-methylphenyl)-octylalumane

fluoro-(4-methylphenyl)-octylalumane (PubChem CID 140619409) has the molecular formula C15H24AlF and a molecular weight of 250.34 g/mol. Its IUPAC name is fluoro-(4-methylphenyl)-octylalumane.

Molecular Properties

Compound Namefluoro-(4-methylphenyl)-octylalumane
PubChem CID140619409
Molecular FormulaC15H24AlF
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namefluoro-(4-methylphenyl)-octylalumane
SMILESCCCCCCCC[Al](F)c1ccc(C)cc1
InChIInChI=1S/C8H17.C7H7.Al.FH/c1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;;/h1,3-8H2,2H3;3-6H,1H3;;1H/q;;+1;/p-1
InChIKeyCRRJVQWNXDGYML-UHFFFAOYSA-M
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

fluoro-(4-methylphenyl)-propylalumane
CID 140619406
dihexyl-(4-methylphenoxy)alumane
CID 139948347
decane;sulfane;toluene
CID 157105742
formaldehyde;hexane;1,4-xylene
CID 143308406
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
fluoro-(4-methylphenyl)-(2-methylpropyl)alumane
CID 140619399
benzene;heptane;hexane;toluene
CID 160959480
bis(heptane);toluene
CID 157306102
decane;1-methyl-4-(4-methylphenoxy)benzene;octane
CID 90840251
1-methyl-4-octylbenzene
CID 11052746
4-methyl-N-octylaniline
CID 11816856
ethane;heptane;toluene
CID 145106448

Frequently Asked Questions

What is the IUPAC name of fluoro-(4-methylphenyl)-octylalumane?
The IUPAC name of fluoro-(4-methylphenyl)-octylalumane (CID 140619409) is fluoro-(4-methylphenyl)-octylalumane.
What is the SMILES notation for fluoro-(4-methylphenyl)-octylalumane?
The canonical SMILES for fluoro-(4-methylphenyl)-octylalumane is CCCCCCCC[Al](F)c1ccc(C)cc1.
What is the InChIKey of fluoro-(4-methylphenyl)-octylalumane?
The InChIKey is CRRJVQWNXDGYML-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17.C7H7.Al.FH/c1-3-5-7-8-6-4-2;1-7-5-3-2-4-6-7;;/h1,3-8H2,2H3;3-6H,1H3;;1H/q;;+1;/p-1.
What are the key properties of fluoro-(4-methylphenyl)-octylalumane?
fluoro-(4-methylphenyl)-octylalumane has a molecular weight of 250.34 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(4-methylphenyl)-octylalumane is sourced from PubChem (CID 140619409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).