1-methyl-4-propylbenzene;trifluoroalumane

C10H14AlF3 — CID 174704537

IUPAC1-methyl-4-propylbenzene;trifluoroalumane
SMILESCCCc1ccc(C)cc1.F[Al](F)F
InChIInChI=1S/C10H14.Al.3FH/c1-3-4-10-7-5-9(2)6-8-10;;;;/h5-8H,3-4H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyBIICQHLDCYRWBX-UHFFFAOYSA-K
MW218.20 g/mol
LogP3.83
Rot. Bonds2

About 1-methyl-4-propylbenzene;trifluoroalumane

1-methyl-4-propylbenzene;trifluoroalumane (PubChem CID 174704537) has the molecular formula C10H14AlF3 and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-methyl-4-propylbenzene;trifluoroalumane.

Molecular Properties

Compound Name1-methyl-4-propylbenzene;trifluoroalumane
PubChem CID174704537
Molecular FormulaC10H14AlF3
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name1-methyl-4-propylbenzene;trifluoroalumane
SMILESCCCc1ccc(C)cc1.F[Al](F)F
InChIInChI=1S/C10H14.Al.3FH/c1-3-4-10-7-5-9(2)6-8-10;;;;/h5-8H,3-4H2,1-2H3;;3*1H/q;+3;;;/p-3
InChIKeyBIICQHLDCYRWBX-UHFFFAOYSA-K
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propylbenzene;trifluoroalumane?
The IUPAC name of 1-methyl-4-propylbenzene;trifluoroalumane (CID 174704537) is 1-methyl-4-propylbenzene;trifluoroalumane.
What is the SMILES notation for 1-methyl-4-propylbenzene;trifluoroalumane?
The canonical SMILES for 1-methyl-4-propylbenzene;trifluoroalumane is CCCc1ccc(C)cc1.F[Al](F)F.
What is the InChIKey of 1-methyl-4-propylbenzene;trifluoroalumane?
The InChIKey is BIICQHLDCYRWBX-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14.Al.3FH/c1-3-4-10-7-5-9(2)6-8-10;;;;/h5-8H,3-4H2,1-2H3;;3*1H/q;+3;;;/p-3.
What are the key properties of 1-methyl-4-propylbenzene;trifluoroalumane?
1-methyl-4-propylbenzene;trifluoroalumane has a molecular weight of 218.20 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propylbenzene;trifluoroalumane is sourced from PubChem (CID 174704537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).