diethoxy(fluoro)alumane

C4H10AlFO2 — CID 16699585

IUPACdiethoxy(fluoro)alumane
SMILESCCO[Al](F)OCC
InChIInChI=1S/2C2H5O.Al.FH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyJBOAKASBZOQMOS-UHFFFAOYSA-M
MW136.10 g/mol
LogP1.01
Rot. Bonds4

About diethoxy(fluoro)alumane

diethoxy(fluoro)alumane (PubChem CID 16699585) has the molecular formula C4H10AlFO2 and a molecular weight of 136.10 g/mol. Its IUPAC name is diethoxy(fluoro)alumane.

Molecular Properties

Compound Namediethoxy(fluoro)alumane
PubChem CID16699585
Molecular FormulaC4H10AlFO2
Molecular Weight136.10 g/mol
Exact Mass136.05
IUPAC Namediethoxy(fluoro)alumane
SMILESCCO[Al](F)OCC
InChIInChI=1S/2C2H5O.Al.FH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1
InChIKeyJBOAKASBZOQMOS-UHFFFAOYSA-M
XLogP1.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze diethoxy(fluoro)alumane 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 diethoxy(fluoro)alumane?
The IUPAC name of diethoxy(fluoro)alumane (CID 16699585) is diethoxy(fluoro)alumane.
What is the SMILES notation for diethoxy(fluoro)alumane?
The canonical SMILES for diethoxy(fluoro)alumane is CCO[Al](F)OCC.
What is the InChIKey of diethoxy(fluoro)alumane?
The InChIKey is JBOAKASBZOQMOS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5O.Al.FH/c2*1-2-3;;/h2*2H2,1H3;;1H/q2*-1;+3;/p-1.
What are the key properties of diethoxy(fluoro)alumane?
diethoxy(fluoro)alumane has a molecular weight of 136.10 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(fluoro)alumane is sourced from PubChem (CID 16699585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).