magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide

C9H2BrF9Mg — CID 15865245

IUPACmagnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide
SMILESFC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H2F9.BrH.Mg/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;;/h1-2H;1H;/q-1;;+2/p-1
InChIKeyPAPSNHVMARINRX-UHFFFAOYSA-M
MW385.31 g/mol
LogP1.17
Rot. Bonds

About magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide

magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide (PubChem CID 15865245) has the molecular formula C9H2BrF9Mg and a molecular weight of 385.31 g/mol. Its IUPAC name is magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide
PubChem CID15865245
Molecular FormulaC9H2BrF9Mg
Molecular Weight385.31 g/mol
Exact Mass383.90
IUPAC Namemagnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide
SMILESFC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C9H2F9.BrH.Mg/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;;/h1-2H;1H;/q-1;;+2/p-1
InChIKeyPAPSNHVMARINRX-UHFFFAOYSA-M
XLogP1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1,3-bis(trifluoromethyl)benzene-6-ide;bromozinc(1+)
CID 146001671
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
1,2,3-trichloro-5-(trifluoromethyl)benzene;1,2,3-trifluoro-5-(trifluoromethyl)benzene
CID 157268578
CID 10890130
CID 10890130
CID 87457276
CID 87457276
magnesium bis(tetrakis[2,4,6-tris(trifluoromethyl)phenyl]boranuide)
CID 87709525
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
CID 164892485
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
tris(1,3-bis(trifluoromethyl)benzene-5-ide);gold(3+)
CID 161274801

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide?
The IUPAC name of magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide (CID 15865245) is magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide.
What is the SMILES notation for magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide?
The canonical SMILES for magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide is FC(F)(F)c1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide?
The InChIKey is PAPSNHVMARINRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H2F9.BrH.Mg/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18;;/h1-2H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide?
magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide has a molecular weight of 385.31 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3,5-tris(trifluoromethyl)benzene-6-ide;bromide is sourced from PubChem (CID 15865245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).