fluoro-(4-methylphenyl)-(2-methylpropyl)alumane

C11H16AlF — CID 140619399

IUPACfluoro-(4-methylphenyl)-(2-methylpropyl)alumane
SMILESCc1ccc([Al](F)CC(C)C)cc1
InChIInChI=1S/C7H7.C4H9.Al.FH/c1-7-5-3-2-4-6-7;1-4(2)3;;/h3-6H,1H3;4H,1H2,2-3H3;;1H/q;;+1;/p-1
InChIKeyIHLGRHJWKZQCPS-UHFFFAOYSA-M
MW194.23 g/mol
LogP2.82
Rot. Bonds3

About fluoro-(4-methylphenyl)-(2-methylpropyl)alumane

fluoro-(4-methylphenyl)-(2-methylpropyl)alumane (PubChem CID 140619399) has the molecular formula C11H16AlF and a molecular weight of 194.23 g/mol. Its IUPAC name is fluoro-(4-methylphenyl)-(2-methylpropyl)alumane.

Molecular Properties

Compound Namefluoro-(4-methylphenyl)-(2-methylpropyl)alumane
PubChem CID140619399
Molecular FormulaC11H16AlF
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namefluoro-(4-methylphenyl)-(2-methylpropyl)alumane
SMILESCc1ccc([Al](F)CC(C)C)cc1
InChIInChI=1S/C7H7.C4H9.Al.FH/c1-7-5-3-2-4-6-7;1-4(2)3;;/h3-6H,1H3;4H,1H2,2-3H3;;1H/q;;+1;/p-1
InChIKeyIHLGRHJWKZQCPS-UHFFFAOYSA-M
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of fluoro-(4-methylphenyl)-(2-methylpropyl)alumane?
The IUPAC name of fluoro-(4-methylphenyl)-(2-methylpropyl)alumane (CID 140619399) is fluoro-(4-methylphenyl)-(2-methylpropyl)alumane.
What is the SMILES notation for fluoro-(4-methylphenyl)-(2-methylpropyl)alumane?
The canonical SMILES for fluoro-(4-methylphenyl)-(2-methylpropyl)alumane is Cc1ccc([Al](F)CC(C)C)cc1.
What is the InChIKey of fluoro-(4-methylphenyl)-(2-methylpropyl)alumane?
The InChIKey is IHLGRHJWKZQCPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7.C4H9.Al.FH/c1-7-5-3-2-4-6-7;1-4(2)3;;/h3-6H,1H3;4H,1H2,2-3H3;;1H/q;;+1;/p-1.
What are the key properties of fluoro-(4-methylphenyl)-(2-methylpropyl)alumane?
fluoro-(4-methylphenyl)-(2-methylpropyl)alumane has a molecular weight of 194.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(4-methylphenyl)-(2-methylpropyl)alumane is sourced from PubChem (CID 140619399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).