fluoro-(4-methylphenyl)-propylalumane

C10H14AlF — CID 140619406

IUPACfluoro-(4-methylphenyl)-propylalumane
SMILESCCC[Al](F)c1ccc(C)cc1
InChIInChI=1S/C7H7.C3H7.Al.FH/c1-7-5-3-2-4-6-7;1-3-2;;/h3-6H,1H3;1,3H2,2H3;;1H/q;;+1;/p-1
InChIKeyHZCXWWPIPVONEM-UHFFFAOYSA-M
MW180.20 g/mol
LogP2.57
Rot. Bonds3

About fluoro-(4-methylphenyl)-propylalumane

fluoro-(4-methylphenyl)-propylalumane (PubChem CID 140619406) has the molecular formula C10H14AlF and a molecular weight of 180.20 g/mol. Its IUPAC name is fluoro-(4-methylphenyl)-propylalumane.

Molecular Properties

Compound Namefluoro-(4-methylphenyl)-propylalumane
PubChem CID140619406
Molecular FormulaC10H14AlF
Molecular Weight180.20 g/mol
Exact Mass180.09
IUPAC Namefluoro-(4-methylphenyl)-propylalumane
SMILESCCC[Al](F)c1ccc(C)cc1
InChIInChI=1S/C7H7.C3H7.Al.FH/c1-7-5-3-2-4-6-7;1-3-2;;/h3-6H,1H3;1,3H2,2H3;;1H/q;;+1;/p-1
InChIKeyHZCXWWPIPVONEM-UHFFFAOYSA-M
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of fluoro-(4-methylphenyl)-propylalumane?
The IUPAC name of fluoro-(4-methylphenyl)-propylalumane (CID 140619406) is fluoro-(4-methylphenyl)-propylalumane.
What is the SMILES notation for fluoro-(4-methylphenyl)-propylalumane?
The canonical SMILES for fluoro-(4-methylphenyl)-propylalumane is CCC[Al](F)c1ccc(C)cc1.
What is the InChIKey of fluoro-(4-methylphenyl)-propylalumane?
The InChIKey is HZCXWWPIPVONEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C3H7.Al.FH/c1-7-5-3-2-4-6-7;1-3-2;;/h3-6H,1H3;1,3H2,2H3;;1H/q;;+1;/p-1.
What are the key properties of fluoro-(4-methylphenyl)-propylalumane?
fluoro-(4-methylphenyl)-propylalumane has a molecular weight of 180.20 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(4-methylphenyl)-propylalumane is sourced from PubChem (CID 140619406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).