6-fluoro-2-hexyloxaluminane

C10H20AlFO — CID 143389182

IUPAC6-fluoro-2-hexyloxaluminane
SMILESCCCCCC[Al]1CCCC(F)O1
InChIInChI=1S/C6H13.C4H7FO.Al/c1-3-5-6-4-2;1-2-3-4(5)6;/h1,3-6H2,2H3;4H,1-3H2;/q;-1;+1
InChIKeySUMVAMBUOSXRIG-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.66
Rot. Bonds5

About 6-fluoro-2-hexyloxaluminane

6-fluoro-2-hexyloxaluminane (PubChem CID 143389182) has the molecular formula C10H20AlFO and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-fluoro-2-hexyloxaluminane.

Molecular Properties

Compound Name6-fluoro-2-hexyloxaluminane
PubChem CID143389182
Molecular FormulaC10H20AlFO
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name6-fluoro-2-hexyloxaluminane
SMILESCCCCCC[Al]1CCCC(F)O1
InChIInChI=1S/C6H13.C4H7FO.Al/c1-3-5-6-4-2;1-2-3-4(5)6;/h1,3-6H2,2H3;4H,1-3H2;/q;-1;+1
InChIKeySUMVAMBUOSXRIG-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hexyloxaluminane?
The IUPAC name of 6-fluoro-2-hexyloxaluminane (CID 143389182) is 6-fluoro-2-hexyloxaluminane.
What is the SMILES notation for 6-fluoro-2-hexyloxaluminane?
The canonical SMILES for 6-fluoro-2-hexyloxaluminane is CCCCCC[Al]1CCCC(F)O1.
What is the InChIKey of 6-fluoro-2-hexyloxaluminane?
The InChIKey is SUMVAMBUOSXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C4H7FO.Al/c1-3-5-6-4-2;1-2-3-4(5)6;/h1,3-6H2,2H3;4H,1-3H2;/q;-1;+1.
What are the key properties of 6-fluoro-2-hexyloxaluminane?
6-fluoro-2-hexyloxaluminane has a molecular weight of 202.25 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-hexyloxaluminane is sourced from PubChem (CID 143389182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).