magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride

C8H3ClF6Mg — CID 87244324

IUPACmagnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride
SMILESFC(F)(F)c1[c-]cccc1C(F)(F)F.[Cl-].[Mg+2]
InChIInChI=1S/C8H3F6.ClH.Mg/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyXXZFOQYYKBHATO-UHFFFAOYSA-M
MW272.86 g/mol
LogP0.15
Rot. Bonds

About magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride

magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride (PubChem CID 87244324) has the molecular formula C8H3ClF6Mg and a molecular weight of 272.86 g/mol. Its IUPAC name is magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride.

Molecular Properties

Compound Namemagnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride
PubChem CID87244324
Molecular FormulaC8H3ClF6Mg
Molecular Weight272.86 g/mol
Exact Mass271.97
IUPAC Namemagnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride
SMILESFC(F)(F)c1[c-]cccc1C(F)(F)F.[Cl-].[Mg+2]
InChIInChI=1S/C8H3F6.ClH.Mg/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyXXZFOQYYKBHATO-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 ≤ 500272.86
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;1,2-bis(trifluoromethyl)benzene-6-ide;chloride?
The IUPAC name of magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride (CID 87244324) is magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride.
What is the SMILES notation for magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride?
The canonical SMILES for magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride is FC(F)(F)c1[c-]cccc1C(F)(F)F.[Cl-].[Mg+2].
What is the InChIKey of magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride?
The InChIKey is XXZFOQYYKBHATO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H3F6.ClH.Mg/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride?
magnesium;1,2-bis(trifluoromethyl)benzene-6-ide;chloride has a molecular weight of 272.86 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;1,2-bis(trifluoromethyl)benzene-6-ide;chloride is sourced from PubChem (CID 87244324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).