2-butyl-6-fluorooxaluminane

C8H16AlFO — CID 143389186

IUPAC2-butyl-6-fluorooxaluminane
SMILESCCCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-3-4-2;/h4H,1-3H2;1,3-4H2,2H3;/q-1;;+1
InChIKeyZEMUNVGMHIOKEI-UHFFFAOYSA-N
MW174.19 g/mol
LogP2.88
Rot. Bonds3

About 2-butyl-6-fluorooxaluminane

2-butyl-6-fluorooxaluminane (PubChem CID 143389186) has the molecular formula C8H16AlFO and a molecular weight of 174.19 g/mol. Its IUPAC name is 2-butyl-6-fluorooxaluminane.

Molecular Properties

Compound Name2-butyl-6-fluorooxaluminane
PubChem CID143389186
Molecular FormulaC8H16AlFO
Molecular Weight174.19 g/mol
Exact Mass174.10
IUPAC Name2-butyl-6-fluorooxaluminane
SMILESCCCC[Al]1CCCC(F)O1
InChIInChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-3-4-2;/h4H,1-3H2;1,3-4H2,2H3;/q-1;;+1
InChIKeyZEMUNVGMHIOKEI-UHFFFAOYSA-N
XLogP2.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.19
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-butyl-6-fluorooxaluminane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-fluorooxaluminane?
The IUPAC name of 2-butyl-6-fluorooxaluminane (CID 143389186) is 2-butyl-6-fluorooxaluminane.
What is the SMILES notation for 2-butyl-6-fluorooxaluminane?
The canonical SMILES for 2-butyl-6-fluorooxaluminane is CCCC[Al]1CCCC(F)O1.
What is the InChIKey of 2-butyl-6-fluorooxaluminane?
The InChIKey is ZEMUNVGMHIOKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO.C4H9.Al/c1-2-3-4(5)6;1-3-4-2;/h4H,1-3H2;1,3-4H2,2H3;/q-1;;+1.
What are the key properties of 2-butyl-6-fluorooxaluminane?
2-butyl-6-fluorooxaluminane has a molecular weight of 174.19 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-fluorooxaluminane is sourced from PubChem (CID 143389186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).