pentylbenzene;trifluoroalumane

C11H16AlF3 — CID 175083479

IUPACpentylbenzene;trifluoroalumane
SMILESCCCCCc1ccccc1.F[Al](F)F
InChIInChI=1S/C11H16.Al.3FH/c1-2-3-5-8-11-9-6-4-7-10-11;;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyOAYJCAFEIOCANH-UHFFFAOYSA-K
MW232.23 g/mol
LogP4.30
Rot. Bonds4

About pentylbenzene;trifluoroalumane

pentylbenzene;trifluoroalumane (PubChem CID 175083479) has the molecular formula C11H16AlF3 and a molecular weight of 232.23 g/mol. Its IUPAC name is pentylbenzene;trifluoroalumane.

Molecular Properties

Compound Namepentylbenzene;trifluoroalumane
PubChem CID175083479
Molecular FormulaC11H16AlF3
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Namepentylbenzene;trifluoroalumane
SMILESCCCCCc1ccccc1.F[Al](F)F
InChIInChI=1S/C11H16.Al.3FH/c1-2-3-5-8-11-9-6-4-7-10-11;;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyOAYJCAFEIOCANH-UHFFFAOYSA-K
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 54.30
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

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097

Frequently Asked Questions

What is the IUPAC name of pentylbenzene;trifluoroalumane?
The IUPAC name of pentylbenzene;trifluoroalumane (CID 175083479) is pentylbenzene;trifluoroalumane.
What is the SMILES notation for pentylbenzene;trifluoroalumane?
The canonical SMILES for pentylbenzene;trifluoroalumane is CCCCCc1ccccc1.F[Al](F)F.
What is the InChIKey of pentylbenzene;trifluoroalumane?
The InChIKey is OAYJCAFEIOCANH-UHFFFAOYSA-K. The full InChI is InChI=1S/C11H16.Al.3FH/c1-2-3-5-8-11-9-6-4-7-10-11;;;;/h4,6-7,9-10H,2-3,5,8H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of pentylbenzene;trifluoroalumane?
pentylbenzene;trifluoroalumane has a molecular weight of 232.23 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentylbenzene;trifluoroalumane is sourced from PubChem (CID 175083479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).