2-ethyl-6-fluorooxaluminane

C6H12AlFO — CID 174515494

IUPAC2-ethyl-6-fluorooxaluminane
SMILESCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C2H5.Al/c1-2-3-4(5)6;1-2;/h4H,1-3H2;1H2,2H3;/q-1;;+1
InChIKeyCEYYTRXWBWMODI-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.10
Rot. Bonds1

About 2-ethyl-6-fluorooxaluminane

2-ethyl-6-fluorooxaluminane (PubChem CID 174515494) has the molecular formula C6H12AlFO and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-ethyl-6-fluorooxaluminane.

Molecular Properties

Compound Name2-ethyl-6-fluorooxaluminane
PubChem CID174515494
Molecular FormulaC6H12AlFO
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2-ethyl-6-fluorooxaluminane
SMILESCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C2H5.Al/c1-2-3-4(5)6;1-2;/h4H,1-3H2;1H2,2H3;/q-1;;+1
InChIKeyCEYYTRXWBWMODI-UHFFFAOYSA-N
XLogP2.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluorooxaluminane?
The IUPAC name of 2-ethyl-6-fluorooxaluminane (CID 174515494) is 2-ethyl-6-fluorooxaluminane.
What is the SMILES notation for 2-ethyl-6-fluorooxaluminane?
The canonical SMILES for 2-ethyl-6-fluorooxaluminane is CC[Al]1CCCC(F)O1.
What is the InChIKey of 2-ethyl-6-fluorooxaluminane?
The InChIKey is CEYYTRXWBWMODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO.C2H5.Al/c1-2-3-4(5)6;1-2;/h4H,1-3H2;1H2,2H3;/q-1;;+1.
What are the key properties of 2-ethyl-6-fluorooxaluminane?
2-ethyl-6-fluorooxaluminane has a molecular weight of 146.14 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluorooxaluminane is sourced from PubChem (CID 174515494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).