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

C8H3BrF6Mg — CID 11197896

IUPACmagnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide
SMILESFC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H3F6.BrH.Mg/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeySHAKXLPGFQFNJG-UHFFFAOYSA-M
MW317.31 g/mol
LogP0.15
Rot. Bonds

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

magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide (PubChem CID 11197896) has the molecular formula C8H3BrF6Mg and a molecular weight of 317.31 g/mol. Its IUPAC name is magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide.

Molecular Properties

Compound Namemagnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide
PubChem CID11197896
Molecular FormulaC8H3BrF6Mg
Molecular Weight317.31 g/mol
Exact Mass315.92
IUPAC Namemagnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide
SMILESFC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Br-].[Mg+2]
InChIInChI=1S/C8H3F6.BrH.Mg/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;/h2-4H;1H;/q-1;;+2/p-1
InChIKeySHAKXLPGFQFNJG-UHFFFAOYSA-M
XLogP0.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 50.15
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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Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide?
The IUPAC name of magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide (CID 11197896) is magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide.
What is the SMILES notation for magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide?
The canonical SMILES for magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide is FC(F)(F)c1c[c-]cc(C(F)(F)F)c1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide?
The InChIKey is SHAKXLPGFQFNJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H3F6.BrH.Mg/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;/h2-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide?
magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide has a molecular weight of 317.31 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-bis(trifluoromethyl)benzene-5-ide;bromide is sourced from PubChem (CID 11197896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).