1-butyl-4-methylbenzene;trifluoroalumane

C11H16AlF3 — CID 175081213

IUPAC1-butyl-4-methylbenzene;trifluoroalumane
SMILESCCCCc1ccc(C)cc1.F[Al](F)F
InChIInChI=1S/C11H16.Al.3FH/c1-3-4-5-11-8-6-10(2)7-9-11;;;;/h6-9H,3-5H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyAWZZIRPQPUZYNP-UHFFFAOYSA-K
MW232.23 g/mol
LogP4.22
Rot. Bonds3

About 1-butyl-4-methylbenzene;trifluoroalumane

1-butyl-4-methylbenzene;trifluoroalumane (PubChem CID 175081213) has the molecular formula C11H16AlF3 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-butyl-4-methylbenzene;trifluoroalumane.

Molecular Properties

Compound Name1-butyl-4-methylbenzene;trifluoroalumane
PubChem CID175081213
Molecular FormulaC11H16AlF3
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-butyl-4-methylbenzene;trifluoroalumane
SMILESCCCCc1ccc(C)cc1.F[Al](F)F
InChIInChI=1S/C11H16.Al.3FH/c1-3-4-5-11-8-6-10(2)7-9-11;;;;/h6-9H,3-5H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyAWZZIRPQPUZYNP-UHFFFAOYSA-K
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-4-methylbenzene;trifluoroalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-methyl-4-octylbenzene
CID 11052746
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-butyl-4-methylbenzene;formic acid
CID 177221373
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-butyl-4-methylbenzene;phenol
CID 174834955
1-butyl-4-methylbenzene;N,N-dipropylbutan-1-amine;ethane
CID 156867707

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylbenzene;trifluoroalumane?
The IUPAC name of 1-butyl-4-methylbenzene;trifluoroalumane (CID 175081213) is 1-butyl-4-methylbenzene;trifluoroalumane.
What is the SMILES notation for 1-butyl-4-methylbenzene;trifluoroalumane?
The canonical SMILES for 1-butyl-4-methylbenzene;trifluoroalumane is CCCCc1ccc(C)cc1.F[Al](F)F.
What is the InChIKey of 1-butyl-4-methylbenzene;trifluoroalumane?
The InChIKey is AWZZIRPQPUZYNP-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H16.Al.3FH/c1-3-4-5-11-8-6-10(2)7-9-11;;;;/h6-9H,3-5H2,1-2H3;;3*1H/q;+3;;;/p-3.
What are the key properties of 1-butyl-4-methylbenzene;trifluoroalumane?
1-butyl-4-methylbenzene;trifluoroalumane has a molecular weight of 232.23 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylbenzene;trifluoroalumane is sourced from PubChem (CID 175081213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).