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

C21H14AlF7O — CID 177045586

IUPACbis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
SMILESCOc1c(F)cc(F)c(F)c1[Al](c1cc(F)cc(F)c1C)c1cc(F)cc(F)c1C
InChIInChI=1S/C7H4F3O.2C7H5F2.Al/c1-11-7-3-5(9)4(8)2-6(7)10;2*1-5-2-3-6(8)4-7(5)9;/h2H,1H3;2*3-4H,1H3;
InChIKeyUHRGFHZTOXIFJW-UHFFFAOYSA-N
MW442.31 g/mol
LogP3.80
Rot. Bonds4

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

bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane (PubChem CID 177045586) has the molecular formula C21H14AlF7O and a molecular weight of 442.31 g/mol. Its IUPAC name is bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane.

Molecular Properties

Compound Namebis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
PubChem CID177045586
Molecular FormulaC21H14AlF7O
Molecular Weight442.31 g/mol
Exact Mass442.07
IUPAC Namebis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
SMILESCOc1c(F)cc(F)c(F)c1[Al](c1cc(F)cc(F)c1C)c1cc(F)cc(F)c1C
InChIInChI=1S/C7H4F3O.2C7H5F2.Al/c1-11-7-3-5(9)4(8)2-6(7)10;2*1-5-2-3-6(8)4-7(5)9;/h2H,1H3;2*3-4H,1H3;
InChIKeyUHRGFHZTOXIFJW-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trifluoro-3-methylphenyl)-bis(2,3,5-trifluorophenyl)alumane
CID 177045721
(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
(2,3,4,6-tetrafluoro-5-methoxyphenyl)-bis(3,4,6-trifluoro-2-methylphenyl)alumane
CID 177045792
bis(2,3,5,6-tetrafluorophenyl)-(2,4,6-trifluoro-3-methylphenyl)alumane
CID 177045557
bis(2,3,4,6-tetrafluoro-4-methylcyclohexa-1,5-dien-1-yl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045867
(2,4-difluoro-6-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)alumane
CID 177045878
(2,4,6-trifluoro-3-methoxyphenyl)-bis(2,3,5-trifluorophenyl)borane
CID 177045558
(3,5-difluoro-2-methoxyphenyl)-bis(2,3,5,6-tetrafluoro-4-methylphenyl)borane
CID 177045820
(2,6-difluoro-4-methoxyphenyl)-bis(2,3,5,6-tetrafluorophenyl)alumane
CID 177045953
CID 87823545
CID 87823545
CID 21097811
CID 21097811

Frequently Asked Questions

What is the IUPAC name of bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane?
The IUPAC name of bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane (CID 177045586) is bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane.
What is the SMILES notation for bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane?
The canonical SMILES for bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane is COc1c(F)cc(F)c(F)c1[Al](c1cc(F)cc(F)c1C)c1cc(F)cc(F)c1C.
What is the InChIKey of bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane?
The InChIKey is UHRGFHZTOXIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3O.2C7H5F2.Al/c1-11-7-3-5(9)4(8)2-6(7)10;2*1-5-2-3-6(8)4-7(5)9;/h2H,1H3;2*3-4H,1H3;.
What are the key properties of bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane?
bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane has a molecular weight of 442.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-difluoro-2-methylphenyl)-(2,3,5-trifluoro-6-methoxyphenyl)alumane is sourced from PubChem (CID 177045586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).