magnesium;2,6-bis(trifluoromethyl)phenolate;bromide

C8H3BrF6MgO — CID 139924766

IUPACmagnesium;2,6-bis(trifluoromethyl)phenolate;bromide
SMILES[Br-].[Mg+2].[O-]c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H4F6O.BrH.Mg/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14;;/h1-3,15H;1H;/q;;+2/p-2
InChIKeyLAGAWVSEUGMINN-UHFFFAOYSA-L
MW333.31 g/mol
LogP-0.58
Rot. Bonds

About magnesium;2,6-bis(trifluoromethyl)phenolate;bromide

magnesium;2,6-bis(trifluoromethyl)phenolate;bromide (PubChem CID 139924766) has the molecular formula C8H3BrF6MgO and a molecular weight of 333.31 g/mol. Its IUPAC name is magnesium;2,6-bis(trifluoromethyl)phenolate;bromide.

Molecular Properties

Compound Namemagnesium;2,6-bis(trifluoromethyl)phenolate;bromide
PubChem CID139924766
Molecular FormulaC8H3BrF6MgO
Molecular Weight333.31 g/mol
Exact Mass331.91
IUPAC Namemagnesium;2,6-bis(trifluoromethyl)phenolate;bromide
SMILES[Br-].[Mg+2].[O-]c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C8H4F6O.BrH.Mg/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14;;/h1-3,15H;1H;/q;;+2/p-2
InChIKeyLAGAWVSEUGMINN-UHFFFAOYSA-L
XLogP-0.58
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)phenol
CID 162212145
sodium 2,6-ditert-butylphenolate
CID 23662146
2,6-bis(trifluoromethyl)benzoate
CID 6927052
2,6-bis(trifluoromethyl)benzenesulfonyl chloride
CID 18981651
benzene;octakis(2,6-ditert-butylphenolate);tetrakis(uranium(2+))
CID 139040418
bis[2,6-bis(trifluoromethyl)phenyl]-difluorosilane
CID 12073570
ethane;2-(trifluoromethyl)phenol
CID 142291947
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride
CID 87244324
2,6-bis(trifluoromethyl)benzoate;copper(1+)
CID 118193497
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
bis[2,6-bis(trifluoromethyl)phenyl]-dichlorostannane
CID 12073575

Frequently Asked Questions

What is the IUPAC name of magnesium;2,6-bis(trifluoromethyl)phenolate;bromide?
The IUPAC name of magnesium;2,6-bis(trifluoromethyl)phenolate;bromide (CID 139924766) is magnesium;2,6-bis(trifluoromethyl)phenolate;bromide.
What is the SMILES notation for magnesium;2,6-bis(trifluoromethyl)phenolate;bromide?
The canonical SMILES for magnesium;2,6-bis(trifluoromethyl)phenolate;bromide is [Br-].[Mg+2].[O-]c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of magnesium;2,6-bis(trifluoromethyl)phenolate;bromide?
The InChIKey is LAGAWVSEUGMINN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4F6O.BrH.Mg/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14;;/h1-3,15H;1H;/q;;+2/p-2.
What are the key properties of magnesium;2,6-bis(trifluoromethyl)phenolate;bromide?
magnesium;2,6-bis(trifluoromethyl)phenolate;bromide has a molecular weight of 333.31 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,6-bis(trifluoromethyl)phenolate;bromide is sourced from PubChem (CID 139924766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).