dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane

C8H6AlF5O — CID 16706506

IUPACdimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane
SMILESC[Al](C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1
InChIKeyCGCVGYFZERJAEB-UHFFFAOYSA-M
MW240.11 g/mol
LogP3.01
Rot. Bonds2

About dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane

dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane (PubChem CID 16706506) has the molecular formula C8H6AlF5O and a molecular weight of 240.11 g/mol. Its IUPAC name is dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane.

Molecular Properties

Compound Namedimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane
PubChem CID16706506
Molecular FormulaC8H6AlF5O
Molecular Weight240.11 g/mol
Exact Mass240.02
IUPAC Namedimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane
SMILESC[Al](C)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C6HF5O.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1
InChIKeyCGCVGYFZERJAEB-UHFFFAOYSA-M
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze dimethyl-(2,3,4,5,6-pentafluorophenoxy)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 dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane?
The IUPAC name of dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane (CID 16706506) is dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane.
What is the SMILES notation for dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane?
The canonical SMILES for dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane is C[Al](C)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane?
The InChIKey is CGCVGYFZERJAEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6HF5O.2CH3.Al/c7-1-2(8)4(10)6(12)5(11)3(1)9;;;/h12H;2*1H3;/q;;;+1/p-1.
What are the key properties of dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane?
dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane has a molecular weight of 240.11 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2,3,4,5,6-pentafluorophenoxy)alumane is sourced from PubChem (CID 16706506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).