magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride

C19H13ClF2MgO — CID 130472570

IUPACmagnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride
SMILES[Cl-].[Mg+2].[O-]C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13F2O.ClH.Mg/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;;/h1-13H;1H;/q-1;;+2/p-1
InChIKeyKRXRUHJMYKWZRD-UHFFFAOYSA-M
MW355.07 g/mol
LogP0.24
Rot. Bonds3

About magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride

magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride (PubChem CID 130472570) has the molecular formula C19H13ClF2MgO and a molecular weight of 355.07 g/mol. Its IUPAC name is magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride.

Molecular Properties

Compound Namemagnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride
PubChem CID130472570
Molecular FormulaC19H13ClF2MgO
Molecular Weight355.07 g/mol
Exact Mass354.05
IUPAC Namemagnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride
SMILES[Cl-].[Mg+2].[O-]C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H13F2O.ClH.Mg/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;;/h1-13H;1H;/q-1;;+2/p-1
InChIKeyKRXRUHJMYKWZRD-UHFFFAOYSA-M
XLogP0.24
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
dimagnesium;diphenylmethanediolate;dichloride
CID 162464569
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
magnesium;fluorobenzene;hydride;hydrobromide
CID 173034545
cobalt;fluorobenzene
CID 139244086
fluorobenzene fluoride
CID 139243602
fluorobenzene;nickel
CID 175250202
2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
CID 24799665
1-[2-[4-(benzenesulfonyl)phenyl]propan-2-yl]-4-fluorobenzene
CID 54306016
trityl 4-fluorobenzenesulfonate
CID 139948123
tris(4-fluorophenyl)-phenyl-λ4-sulfane
CID 118643814

Frequently Asked Questions

What is the IUPAC name of magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride?
The IUPAC name of magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride (CID 130472570) is magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride.
What is the SMILES notation for magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride?
The canonical SMILES for magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride is [Cl-].[Mg+2].[O-]C(c1ccccc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride?
The InChIKey is KRXRUHJMYKWZRD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13F2O.ClH.Mg/c20-17-10-6-15(7-11-17)19(22,14-4-2-1-3-5-14)16-8-12-18(21)13-9-16;;/h1-13H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride?
magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride has a molecular weight of 355.07 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;bis(4-fluorophenyl)-phenylmethanolate;chloride is sourced from PubChem (CID 130472570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).