(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane

C21H11AlF10O — CID 177045878

IUPAC(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
SMILESCOc1cc(F)cc(F)c1[Al](c1c(F)c(F)c(C)c(F)c1F)c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/2C7H3F4.C7H5F2O.Al/c2*1-3-6(10)4(8)2-5(9)7(3)11;1-10-7-3-5(8)2-6(9)4-7;/h2*1H3;2-3H,1H3;
InChIKeyGMDDIBRUFWXRNC-UHFFFAOYSA-N
MW496.28 g/mol
LogP4.22
Rot. Bonds4

About (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane

(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane (PubChem CID 177045878) has the molecular formula C21H11AlF10O and a molecular weight of 496.28 g/mol. Its IUPAC name is (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane.

Molecular Properties

Compound Name(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
PubChem CID177045878
Molecular FormulaC21H11AlF10O
Molecular Weight496.28 g/mol
Exact Mass496.05
IUPAC Name(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
SMILESCOc1cc(F)cc(F)c1[Al](c1c(F)c(F)c(C)c(F)c1F)c1c(F)c(F)c(C)c(F)c1F
InChIInChI=1S/2C7H3F4.C7H5F2O.Al/c2*1-3-6(10)4(8)2-5(9)7(3)11;1-10-7-3-5(8)2-6(9)4-7;/h2*1H3;2-3H,1H3;
InChIKeyGMDDIBRUFWXRNC-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane with MolForge

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

Launch Full Analysis

Related Compounds

(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
CID 177045953
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045586
bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
CID 177045557
3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
(3,5-difluoro-2-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045820
(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
CID 177045721
2-(bromomethyl)-1,5-difluoro-3-methoxybenzene
CID 130786949
(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
ethyl 2-(5-fluoro-3-methoxy-2-methylphenyl)-2-oxoacetate
CID 117352680
1-(4-fluoro-2,6-dimethoxyphenyl)ethanone
CID 117287701

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane?
The IUPAC name of (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane (CID 177045878) is (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane.
What is the SMILES notation for (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane?
The canonical SMILES for (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane is COc1cc(F)cc(F)c1[Al](c1c(F)c(F)c(C)c(F)c1F)c1c(F)c(F)c(C)c(F)c1F.
What is the InChIKey of (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane?
The InChIKey is GMDDIBRUFWXRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H3F4.C7H5F2O.Al/c2*1-3-6(10)4(8)2-5(9)7(3)11;1-10-7-3-5(8)2-6(9)4-7;/h2*1H3;2-3H,1H3;.
What are the key properties of (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane?
(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane has a molecular weight of 496.28 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane is sourced from PubChem (CID 177045878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).