(2,6-difluorophenoxy)-dimethylalumane

C8H9AlF2O — CID 139709302

IUPAC(2,6-difluorophenoxy)-dimethylalumane
SMILESC[Al](C)Oc1c(F)cccc1F
InChIInChI=1S/C6H4F2O.2CH3.Al/c7-4-2-1-3-5(8)6(4)9;;;/h1-3,9H;2*1H3;/q;;;+1/p-1
InChIKeyXRZVWETYOIVJEU-UHFFFAOYSA-M
MW186.14 g/mol
LogP2.59
Rot. Bonds2

About (2,6-difluorophenoxy)-dimethylalumane

(2,6-difluorophenoxy)-dimethylalumane (PubChem CID 139709302) has the molecular formula C8H9AlF2O and a molecular weight of 186.14 g/mol. Its IUPAC name is (2,6-difluorophenoxy)-dimethylalumane.

Molecular Properties

Compound Name(2,6-difluorophenoxy)-dimethylalumane
PubChem CID139709302
Molecular FormulaC8H9AlF2O
Molecular Weight186.14 g/mol
Exact Mass186.04
IUPAC Name(2,6-difluorophenoxy)-dimethylalumane
SMILESC[Al](C)Oc1c(F)cccc1F
InChIInChI=1S/C6H4F2O.2CH3.Al/c7-4-2-1-3-5(8)6(4)9;;;/h1-3,9H;2*1H3;/q;;;+1/p-1
InChIKeyXRZVWETYOIVJEU-UHFFFAOYSA-M
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
(2,6-difluorophenyl) nitrite
CID 174766918
(2,3-difluorophenyl)-trimethylsilane
CID 10899371
3-(2,6-difluorophenoxy)butan-2-ol
CID 81269905
1-fluoro-3-methyl-2-[(2-methylpropan-2-yl)oxy]benzene
CID 58073941
4-(3-fluoro-2-methoxyphenyl)-1H-indazole
CID 167807069
[3-fluoro-2-(2-methylsulfanylethoxy)phenyl]boronic acid
CID 131864036
3-fluoro-N-iodo-2-methoxyaniline
CID 163582231
bis(3-fluoro-2-methoxyphenyl)methanone
CID 174934550
ethane;8-fluoro-4-methylisoquinoline
CID 167523042
5-(2,6-difluorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 133425367
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenoxy)-dimethylalumane?
The IUPAC name of (2,6-difluorophenoxy)-dimethylalumane (CID 139709302) is (2,6-difluorophenoxy)-dimethylalumane.
What is the SMILES notation for (2,6-difluorophenoxy)-dimethylalumane?
The canonical SMILES for (2,6-difluorophenoxy)-dimethylalumane is C[Al](C)Oc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenoxy)-dimethylalumane?
The InChIKey is XRZVWETYOIVJEU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F2O.2CH3.Al/c7-4-2-1-3-5(8)6(4)9;;;/h1-3,9H;2*1H3;/q;;;+1/p-1.
What are the key properties of (2,6-difluorophenoxy)-dimethylalumane?
(2,6-difluorophenoxy)-dimethylalumane has a molecular weight of 186.14 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenoxy)-dimethylalumane is sourced from PubChem (CID 139709302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).