magnesium;benzene;trifluoromethane;hydrochloride

C7H6ClF3Mg — CID 87244366

IUPACmagnesium;benzene;trifluoromethane;hydrochloride
SMILESCl.F[C-](F)F.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.CF3.ClH.Mg/c1-2-4-6-5-3-1;2-1(3)4;;/h1-5H;;1H;/q2*-1;;+2
InChIKeyURAVKKAKLQJMSG-UHFFFAOYSA-N
MW206.88 g/mol
LogP2.87
Rot. Bonds

About magnesium;benzene;trifluoromethane;hydrochloride

magnesium;benzene;trifluoromethane;hydrochloride (PubChem CID 87244366) has the molecular formula C7H6ClF3Mg and a molecular weight of 206.88 g/mol. Its IUPAC name is magnesium;benzene;trifluoromethane;hydrochloride.

Molecular Properties

Compound Namemagnesium;benzene;trifluoromethane;hydrochloride
PubChem CID87244366
Molecular FormulaC7H6ClF3Mg
Molecular Weight206.88 g/mol
Exact Mass206.00
IUPAC Namemagnesium;benzene;trifluoromethane;hydrochloride
SMILESCl.F[C-](F)F.[Mg+2].[c-]1ccccc1
InChIInChI=1S/C6H5.CF3.ClH.Mg/c1-2-4-6-5-3-1;2-1(3)4;;/h1-5H;;1H;/q2*-1;;+2
InChIKeyURAVKKAKLQJMSG-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.88
LogP ≤ 52.87
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

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Frequently Asked Questions

What is the IUPAC name of magnesium;benzene;trifluoromethane;hydrochloride?
The IUPAC name of magnesium;benzene;trifluoromethane;hydrochloride (CID 87244366) is magnesium;benzene;trifluoromethane;hydrochloride.
What is the SMILES notation for magnesium;benzene;trifluoromethane;hydrochloride?
The canonical SMILES for magnesium;benzene;trifluoromethane;hydrochloride is Cl.F[C-](F)F.[Mg+2].[c-]1ccccc1.
What is the InChIKey of magnesium;benzene;trifluoromethane;hydrochloride?
The InChIKey is URAVKKAKLQJMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.CF3.ClH.Mg/c1-2-4-6-5-3-1;2-1(3)4;;/h1-5H;;1H;/q2*-1;;+2.
What are the key properties of magnesium;benzene;trifluoromethane;hydrochloride?
magnesium;benzene;trifluoromethane;hydrochloride has a molecular weight of 206.88 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzene;trifluoromethane;hydrochloride is sourced from PubChem (CID 87244366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).